#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 4.57 0.00 2.12 -0.21 -1.26 -5.04 119.66 119.84 1ija s GLN 2 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 55.36 57.07 1ija s GLN 2 Cb 0.00 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.95 1ija s GLN 2 CO 0.00 0.18 0.00 0.00 -2.12 0.00 0.00 175.29 173.35 1ija n ALA 3 N 0.96 0.00 -1.97 6.09 0.00 -1.26 -5.03 120.51 119.30 1ija n ALA 3 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1ija n ALA 3 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.89 1ija n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ija s LYS 4 N -2.55 3.79 0.81 0.00 3.01 -1.26 -5.03 119.74 118.50 1ija s LYS 4 Ca 0.00 0.72 -0.16 0.00 -1.01 0.00 0.00 55.97 55.53 1ija s LYS 4 Cb 0.00 -2.20 -0.09 0.00 -1.01 0.00 0.00 37.83 34.52 1ija s LYS 4 CO 0.00 -0.28 -0.81 -2.30 0.51 0.00 0.00 175.35 172.47 1ija n PRO 5 N -1.86 -0.16 -1.91 -1.68 -0.02 -1.26 -4.86 135.00 123.25 1ija n PRO 5 Ca 0.05 -0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.14 1ija n PRO 5 Cb 0.54 -1.05 0.04 0.00 -0.02 0.00 0.00 33.50 33.01 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1ija s GLN 6 N -2.12 2.89 -0.09 -0.52 0.74 -1.26 -4.97 119.66 114.33 1ija s GLN 6 Ca 0.22 1.64 -0.26 0.00 0.05 0.00 0.00 55.36 57.01 1ija s GLN 6 Cb 0.05 -1.94 -0.03 0.00 1.10 0.00 0.00 33.01 32.20 1ija s GLN 6 CO 0.38 -1.22 0.84 0.42 -0.55 0.00 0.00 175.29 175.15 1ija s ILE 7 N -1.91 4.93 0.16 -2.34 1.01 -1.26 -4.98 121.20 116.81 1ija s ILE 7 Ca 0.73 1.70 -0.31 0.00 0.00 0.00 0.00 60.65 62.77 1ija s ILE 7 Cb -0.26 -4.16 -0.17 0.00 0.01 0.00 0.00 42.46 37.88 1ija s ILE 7 CO 0.36 0.14 0.70 -2.65 0.00 0.00 0.00 174.94 173.48 1ija n PRO 8 N 4.38 0.12 0.19 2.79 -0.02 -1.26 -4.85 135.00 136.34 1ija n PRO 8 Ca 0.03 0.04 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1ija n PRO 8 Cb 0.50 -1.19 0.12 0.00 -0.02 0.00 0.00 33.50 32.91 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 1.61 0.00 -6.60 -0.52 1.57 -1.98 -3.43 116.57 107.21 1ija h LYS 9 Ca -0.34 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 57.88 1ija h LYS 9 Cb 1.43 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.68 1ija h LYS 9 CO 0.60 0.01 1.01 -0.51 -0.57 0.00 0.00 179.45 179.98 1ija s ASP 10 N -6.01 6.44 0.00 0.86 1.01 -1.26 -4.83 116.67 112.88 1ija s ASP 10 Ca 0.05 0.51 0.04 0.00 0.71 0.00 0.00 52.55 53.87 1ija s ASP 10 Cb 0.06 -2.55 0.25 0.00 1.01 0.00 0.00 42.92 41.69 1ija s ASP 10 CO 0.70 -1.40 0.77 0.29 0.21 0.00 0.00 175.17 175.74 1ija n LYS 11 N 8.11 0.12 -2.37 8.23 4.01 -1.26 -2.13 118.16 132.87 1ija n LYS 11 Ca 0.13 0.05 -0.26 0.00 -0.51 0.00 0.00 58.31 57.72 1ija n LYS 11 Cb 0.49 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.51 1ija n LYS 11 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ija n SER 12 N -1.05 4.69 -3.78 4.39 3.41 -1.26 -4.52 113.62 115.49 1ija n SER 12 Ca 0.03 -3.70 -0.13 0.00 -0.26 0.00 0.00 58.87 54.81 1ija n SER 12 Cb 0.02 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.41 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 -3.55 0.18 -0.10 4.33 2.20 -0.91 -5.10 119.74 116.79 1ija s LYS 13 Ca 0.48 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 1ija s LYS 13 Cb 0.40 -0.00 -0.07 0.00 -1.51 0.00 0.00 37.83 36.65 1ija s LYS 13 CO -0.12 -0.08 2.08 0.08 -0.36 0.00 0.00 175.35 176.95 1ija s VAL 14 N 0.54 3.03 -0.36 4.02 1.01 -1.26 -4.30 120.40 123.08 1ija s VAL 14 Ca -0.04 0.04 0.22 0.00 0.00 0.00 0.00 61.98 62.21 1ija s VAL 14 Cb -0.05 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 33.14 1ija s VAL 14 CO -0.03 -0.01 0.87 0.00 0.00 0.00 0.00 175.10 175.93 1ija n ALA 15 N 9.68 3.06 -3.27 5.51 0.00 -1.16 -4.98 120.51 129.35 1ija n ALA 15 Ca 0.25 -0.40 0.02 0.00 0.00 0.00 0.00 53.44 53.31 1ija n ALA 15 Cb 0.43 -0.94 0.01 0.00 0.00 0.00 0.00 19.45 18.95 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 1.29 1.11 3.18 0.00 0.00 -1.24 -4.63 105.19 104.91 1ija n GLY 16 Ca -0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.89 -0.58 0.05 1.61 6.14 -0.74 -2.81 117.35 116.13 1ija s TYR 17 Ca 0.07 1.22 -0.05 0.00 0.64 0.00 0.00 57.07 58.95 1ija s TYR 17 Cb -0.01 0.18 -0.05 0.00 0.42 0.00 0.00 41.96 42.50 1ija s TYR 17 CO 0.02 -0.37 0.29 -1.50 0.64 0.00 0.00 175.55 174.63 1ija s ILE 18 N 1.95 5.27 -0.16 3.14 2.07 -0.87 -0.18 121.20 132.42 1ija s ILE 18 Ca -0.05 0.05 -0.09 0.00 -1.41 0.00 0.00 60.65 59.15 1ija s ILE 18 Cb -0.11 -3.59 0.05 0.00 0.13 0.00 0.00 42.46 38.94 1ija s ILE 18 CO -0.11 0.24 0.38 -0.70 -1.91 0.00 0.00 174.94 172.84 1ija s GLU 19 N -2.12 0.37 -0.08 3.50 2.12 -0.96 -2.79 118.70 118.74 1ija s GLU 19 Ca 0.32 0.70 -0.04 0.00 0.36 0.00 0.00 54.97 56.32 1ija s GLU 19 Cb -0.13 0.00 0.04 0.00 0.26 0.00 0.00 34.13 34.31 1ija s GLU 19 CO 0.20 -0.14 0.18 0.42 -0.54 0.00 0.00 175.26 175.38 1ija s ILE 20 N 1.17 -0.14 0.04 -3.70 1.01 -0.93 -2.14 121.20 116.52 1ija s ILE 20 Ca -0.08 0.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.64 1ija s ILE 20 Cb -0.08 -0.30 -0.25 0.00 0.01 0.00 0.00 42.46 41.85 1ija s ILE 20 CO -0.10 0.10 1.13 1.55 0.00 0.00 0.00 174.94 177.62 1ija h PRO 21 N 7.63 0.58 0.00 2.79 0.13 -1.87 0.56 132.00 141.82 1ija h PRO 21 Ca -0.32 -0.67 0.00 0.00 -0.87 0.00 0.00 66.00 64.14 1ija h PRO 21 Cb 1.13 0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ija h PRO 21 CO 0.32 1.27 0.35 0.22 -0.23 0.00 0.00 178.00 179.92 1ija h ASP 22 N 0.18 0.00 0.00 1.44 1.82 -1.97 0.81 116.42 118.70 1ija h ASP 22 Ca -0.13 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.51 1ija h ASP 22 Cb 1.62 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1ija h ASP 22 CO 0.18 0.00 -0.21 0.00 -1.61 0.00 0.00 179.24 177.60 1ija n ALA 23 N -1.62 1.65 -4.16 -0.78 0.00 -1.19 -4.31 120.51 110.10 1ija n ALA 23 Ca -0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 53.44 52.15 1ija n ALA 23 Cb 0.37 -0.25 -0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.19 -0.14 -4.80 0.00 5.75 0.27 -4.68 116.55 112.76 1ija n ASP 24 Ca 0.02 -1.13 -0.38 0.00 -0.01 0.00 0.00 54.79 53.28 1ija n ASP 24 Cb 0.58 -2.34 -0.06 0.00 -1.03 0.00 0.00 41.12 38.27 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1ija s ILE 25 N -4.04 4.86 -0.44 2.12 -1.09 0.18 -4.88 121.20 117.91 1ija s ILE 25 Ca 0.12 1.12 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 1ija s ILE 25 Cb -0.07 -3.85 0.19 0.00 -1.58 0.00 0.00 42.46 37.15 1ija s ILE 25 CO 0.95 0.53 0.79 -0.54 -1.23 0.00 0.00 174.94 175.43 1ija s LYS 26 N -0.86 0.78 0.02 2.79 3.01 -1.25 -2.18 119.74 122.04 1ija s LYS 26 Ca 0.28 -0.59 -0.07 0.00 -1.01 0.00 0.00 55.97 54.58 1ija s LYS 26 Cb -0.18 0.01 -0.00 0.00 -1.01 0.00 0.00 37.83 36.64 1ija s LYS 26 CO 0.17 -1.01 0.13 -1.21 0.51 0.00 0.00 175.35 173.94 1ija s GLU 27 N 1.29 0.54 0.61 1.68 0.41 -1.12 -5.02 118.70 117.10 1ija s GLU 27 Ca 0.23 -0.53 -0.09 0.00 -0.41 0.00 0.00 54.97 54.16 1ija s GLU 27 Cb 0.01 0.22 -0.02 0.00 -1.78 0.00 0.00 34.13 32.56 1ija s GLU 27 CO -0.07 -0.14 0.99 -1.25 -0.49 0.00 0.00 175.26 174.30 1ija s PRO 28 N -1.89 3.32 -0.27 0.39 0.04 -1.26 -2.05 135.00 133.28 1ija s PRO 28 Ca -0.11 0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.40 1ija s PRO 28 Cb -0.05 -2.14 0.09 0.00 0.04 0.00 0.00 34.50 32.44 1ija s PRO 28 CO -0.01 -0.64 0.09 0.14 0.04 0.00 0.00 177.00 176.62 1ija s VAL 29 N -3.12 0.57 0.82 -0.36 -7.23 -1.12 -3.37 120.40 106.59 1ija s VAL 29 Ca 0.54 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1ija s VAL 29 Cb -0.11 -1.34 0.10 0.00 0.56 0.00 0.00 36.38 35.59 1ija s VAL 29 CO 0.51 -0.56 1.19 -0.31 -0.31 0.00 0.00 175.10 175.61 1ija s TYR 30 N 1.79 2.69 0.07 2.82 1.51 -1.03 -2.97 117.35 122.23 1ija s TYR 30 Ca 0.07 0.63 -0.23 0.00 -1.01 0.00 0.00 57.07 56.53 1ija s TYR 30 Cb -0.17 -3.57 -0.06 0.00 -0.11 0.00 0.00 41.96 38.05 1ija s TYR 30 CO -0.23 -1.89 0.69 -1.25 -1.11 0.00 0.00 175.55 171.76 1ija s PRO 31 N -5.60 4.42 0.00 -1.71 0.04 -1.26 -3.13 135.00 127.76 1ija s PRO 31 Ca 0.64 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1ija s PRO 31 Cb -0.10 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1ija s PRO 31 CO 0.49 0.45 0.00 0.41 0.04 0.00 0.00 177.00 178.39 1ija n GLY 32 N 2.07 2.05 3.65 0.56 0.00 -1.26 -4.38 105.19 107.87 1ija n GLY 32 Ca -0.06 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.94 4.12 -0.85 1.61 0.04 -1.26 -3.13 135.00 133.60 1ija s PRO 33 Ca 0.00 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 1ija s PRO 33 Cb 0.00 -3.75 -0.27 0.00 0.04 0.00 0.00 34.50 30.52 1ija s PRO 33 CO 0.00 -0.83 2.04 0.00 0.04 0.00 0.00 177.00 178.25 1ija n ALA 34 N 6.83 0.93 -2.56 8.56 0.00 -0.94 -4.84 120.51 128.49 1ija n ALA 34 Ca 0.13 -0.95 -0.27 0.00 0.00 0.00 0.00 53.44 52.35 1ija n ALA 34 Cb 0.46 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 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 2.33 3.15 0.16 0.00 -4.23 -1.26 -5.00 115.64 110.80 1ija s THR 35 Ca 1.09 -1.64 -0.12 0.00 -1.18 0.00 0.00 61.69 59.85 1ija s THR 35 Cb -0.63 -2.55 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1ija s THR 35 CO 0.43 -0.09 1.66 1.55 -0.54 0.00 0.00 174.62 177.63 1ija h PRO 36 N 3.01 0.92 0.00 3.99 0.13 -1.98 -0.18 132.00 137.89 1ija h PRO 36 Ca -0.47 -0.24 -0.01 0.00 -0.87 0.00 0.00 66.00 64.41 1ija h PRO 36 Cb 1.20 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ija h PRO 36 CO 0.53 0.88 -0.05 1.05 -0.23 0.00 0.00 178.00 180.18 1ija h GLU 37 N 0.81 0.00 0.00 0.86 9.09 -1.97 -2.15 114.58 121.22 1ija h GLU 37 Ca 0.17 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.58 1ija h GLU 37 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 1ija h GLU 37 CO 0.01 0.05 -0.17 0.94 0.05 0.00 0.00 179.01 179.89 1ija n GLN 38 N -3.52 0.15 0.21 1.06 0.00 -0.94 -4.08 117.38 110.25 1ija n GLN 38 Ca -0.02 0.32 0.04 0.00 -0.00 0.00 0.00 57.00 57.33 1ija n GLN 38 Cb 0.17 -1.03 0.20 0.00 0.00 0.00 0.00 30.24 29.58 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1ija h LEU 39 N -0.32 0.00 -2.02 1.69 3.38 -1.10 1.42 115.31 118.36 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 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 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 0.67 -0.43 4.21 -1.53 0.21 115.58 118.71 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 1.20 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.40 1ija h ASN 40 CO 0.00 0.09 -0.39 0.54 -1.29 0.00 0.00 177.43 176.38 1ija n ARG 41 N -3.62 0.04 0.00 0.81 1.74 0.48 -5.02 116.66 111.09 1ija n ARG 41 Ca -0.02 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1ija n ARG 41 Cb 0.21 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 1ija n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ija n GLY 42 N 1.48 -0.23 3.63 -0.13 0.00 0.73 -5.08 105.19 105.59 1ija n GLY 42 Ca 0.06 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N 0.00 3.47 0.04 1.61 1.01 -1.22 -4.35 120.40 120.96 1ija s VAL 43 Ca 0.00 -1.68 -0.15 0.00 0.00 0.00 0.00 61.98 60.16 1ija s VAL 43 Cb 0.00 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1ija s VAL 43 CO 0.00 -0.21 0.33 -0.44 0.00 0.00 0.00 175.10 174.78 1ija s SER 44 N -3.19 -0.16 1.19 3.32 0.01 -1.18 -2.47 113.70 111.22 1ija s SER 44 Ca 0.28 -0.15 -0.14 0.00 1.31 0.00 0.00 55.95 57.25 1ija s SER 44 Cb -0.08 0.37 0.27 0.00 0.21 0.00 0.00 66.02 66.80 1ija s SER 44 CO 0.18 -0.63 0.82 0.49 0.41 0.00 0.00 173.24 174.52 1ija n PHE 45 N 0.56 -1.47 1.79 2.43 3.72 -1.18 -2.42 117.46 120.89 1ija n PHE 45 Ca -0.19 -0.15 0.15 0.00 -0.05 0.00 0.00 57.45 57.21 1ija n PHE 45 Cb 0.59 -1.65 0.81 0.00 -0.94 0.00 0.00 39.48 38.29 1ija n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ija n ALA 46 N -4.97 2.66 -3.36 4.37 0.00 0.55 -2.21 120.51 117.55 1ija n ALA 46 Ca 0.02 -0.26 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1ija n ALA 46 Cb 0.56 -1.42 -0.07 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 -2.09 0.89 0.20 0.00 2.02 -1.25 -4.14 118.70 114.32 1ija s GLU 47 Ca 0.42 -0.01 -0.08 0.00 0.02 0.00 0.00 54.97 55.32 1ija s GLU 47 Cb 0.21 0.41 0.13 0.00 0.10 0.00 0.00 34.13 34.98 1ija s GLU 47 CO 0.38 -0.27 1.74 1.49 0.02 0.00 0.00 175.26 178.62 1ija h GLU 48 N 3.34 1.14 -0.44 1.61 4.81 -1.86 -2.80 114.58 120.38 1ija h GLU 48 Ca -0.29 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1ija h GLU 48 Cb 1.16 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1ija h GLU 48 CO 0.40 0.97 0.00 0.09 -0.73 0.00 0.00 179.01 179.74 1ija n ASN 49 N -4.27 1.89 -4.56 1.04 4.13 -1.26 -4.14 115.26 108.08 1ija n ASN 49 Ca 0.06 -2.10 -0.38 0.00 1.68 0.00 0.00 54.58 53.84 1ija n ASN 49 Cb 0.22 -0.30 -0.03 0.00 -1.54 0.00 0.00 39.78 38.14 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1ija s GLU 50 N -1.64 2.41 0.03 3.52 2.56 -1.06 -4.93 118.70 119.60 1ija s GLU 50 Ca 0.20 1.32 -0.13 0.00 0.00 0.00 0.00 54.97 56.36 1ija s GLU 50 Cb 0.12 -4.49 -0.06 0.00 2.00 0.00 0.00 34.13 31.70 1ija s GLU 50 CO 0.11 -2.93 0.40 -1.54 -0.56 0.00 0.00 175.26 170.74 1ija s SER 51 N 10.48 6.75 0.00 -1.70 1.04 -1.26 -4.91 113.70 124.10 1ija s SER 51 Ca 0.90 0.90 0.00 0.00 0.48 0.00 0.00 55.95 58.24 1ija s SER 51 Cb -0.18 -2.22 0.00 0.00 0.10 0.00 0.00 66.02 63.71 1ija s SER 51 CO 0.26 0.27 0.87 0.18 0.98 0.00 0.00 173.24 175.80 1ija n LEU 52 N 1.48 0.00 -0.01 2.42 4.32 -1.26 0.16 117.00 124.12 1ija n LEU 52 Ca -0.12 0.37 0.11 0.00 -0.02 0.00 0.00 56.01 56.35 1ija n LEU 52 Cb 0.52 -0.37 0.06 0.00 -1.62 0.00 0.00 43.42 42.02 1ija n LEU 52 CO 0.39 -0.37 0.20 -0.67 -1.22 0.00 0.00 177.39 175.72 1ija n ASP 53 N -1.37 0.77 -4.58 -1.43 2.03 -1.26 -4.89 116.55 105.82 1ija n ASP 53 Ca 0.00 -0.65 -0.46 0.00 0.52 0.00 0.00 54.79 54.20 1ija n ASP 53 Cb 0.13 0.63 -0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1ija n ASP 53 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ija n ASP 54 N -1.48 3.08 0.24 1.67 2.03 0.42 -4.72 116.55 117.80 1ija n ASP 54 Ca 0.05 0.50 0.06 0.00 0.52 0.00 0.00 54.79 55.92 1ija n ASP 54 Cb 0.33 -1.43 0.16 0.00 -0.72 0.00 0.00 41.12 39.46 1ija n ASP 54 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1ija h GLN 55 N 12.60 0.00 -3.42 -0.67 4.15 -1.90 -3.28 115.11 122.59 1ija h GLN 55 Ca -0.40 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.57 1ija h GLN 55 Cb 1.27 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.57 1ija h GLN 55 CO 0.97 0.00 -0.76 0.54 -1.93 0.00 0.00 178.83 177.66 1ija s ASN 56 N -3.24 1.99 0.14 -0.69 4.22 -1.26 -2.76 114.94 113.33 1ija s ASN 56 Ca -0.01 -0.35 -0.01 0.00 -2.14 0.00 0.00 52.86 50.35 1ija s ASN 56 Cb 0.03 -0.36 -0.04 0.00 1.28 0.00 0.00 41.25 42.15 1ija s ASN 56 CO 0.11 -0.27 0.33 -0.63 -2.04 0.00 0.00 177.10 174.59 1ija s ILE 57 N 2.03 5.26 -0.23 0.54 1.01 -1.02 -5.00 121.20 123.78 1ija s ILE 57 Ca 0.03 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 1ija s ILE 57 Cb -0.14 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1ija s ILE 57 CO -0.06 -0.03 0.12 -0.44 0.00 0.00 0.00 174.94 174.53 1ija s SER 58 N -2.82 2.75 0.27 3.58 0.01 -1.26 -1.26 113.70 114.96 1ija s SER 58 Ca 0.38 -0.87 0.06 0.00 1.31 0.00 0.00 55.95 56.82 1ija s SER 58 Cb -0.12 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 1ija s SER 58 CO 0.28 -0.39 0.38 -0.63 0.41 0.00 0.00 173.24 173.29 1ija s ILE 59 N 2.15 4.89 -0.02 1.44 1.01 -1.01 0.20 121.20 129.86 1ija s ILE 59 Ca 0.06 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.70 1ija s ILE 59 Cb -0.16 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1ija s ILE 59 CO -0.22 -0.28 0.02 0.00 0.00 0.00 0.00 174.94 174.46 1ija s ALA 60 N -2.04 0.18 0.08 9.38 0.00 -1.02 -1.19 121.76 127.15 1ija s ALA 60 Ca 0.37 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1ija s ALA 60 Cb -0.09 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1ija s ALA 60 CO 0.29 -0.10 -0.05 0.20 0.00 0.00 0.00 175.76 176.11 1ija s GLY 61 N 1.06 0.63 1.05 0.00 0.00 -0.86 -3.10 107.32 106.10 1ija s GLY 61 Ca -0.09 -1.29 -0.18 0.00 0.00 0.00 0.00 44.72 43.17 1ija s GLY 61 CO -0.02 -1.39 1.28 0.30 0.00 0.00 0.00 173.10 173.27 1ija s HIS 62 N -3.78 1.09 -0.37 1.90 3.76 -1.26 0.09 115.29 116.71 1ija s HIS 62 Ca 0.10 0.30 0.05 0.00 -0.15 0.00 0.00 55.06 55.36 1ija s HIS 62 Cb 0.07 -4.01 0.17 0.00 1.11 0.00 0.00 32.58 29.91 1ija s HIS 62 CO -0.07 -3.11 0.48 -0.08 -0.85 0.00 0.00 174.74 171.11 1ija s THR 63 N -3.69 -0.64 -0.58 1.30 -1.32 -1.26 0.30 115.64 109.75 1ija s THR 63 Ca 0.75 -0.50 -0.24 0.00 -1.21 0.00 0.00 61.69 60.49 1ija s THR 63 Cb -0.04 -0.47 0.05 0.00 -1.51 0.00 0.00 72.50 70.52 1ija s THR 63 CO 0.54 -0.31 0.95 -0.36 -2.21 0.00 0.00 174.62 173.24 1ija s PHE 64 N 1.77 2.76 0.47 9.09 0.40 -1.26 -4.80 117.98 126.41 1ija s PHE 64 Ca 0.15 -0.12 0.16 0.00 -0.60 0.00 0.00 56.93 56.53 1ija s PHE 64 Cb -0.10 -4.13 1.15 0.00 0.51 0.00 0.00 43.02 40.45 1ija s PHE 64 CO -0.09 -1.43 2.02 0.82 0.70 0.00 0.00 175.22 177.24 1ija h ILE 65 N 6.01 0.89 -0.13 0.64 2.04 -1.99 0.33 117.51 125.30 1ija h ILE 65 Ca -0.27 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1ija h ILE 65 Cb 1.07 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1ija h ILE 65 CO 1.11 0.05 0.00 -0.67 0.00 0.00 0.00 178.15 178.64 1ija n ASP 66 N -4.46 1.67 -2.99 1.72 2.03 -1.26 -4.16 116.55 109.11 1ija n ASP 66 Ca 0.07 -2.14 -0.15 0.00 0.52 0.00 0.00 54.79 53.09 1ija n ASP 66 Cb 0.36 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.08 0.65 0.00 -0.67 3.00 0.12 -5.00 116.66 114.84 1ija n ARG 67 Ca 0.06 -2.48 0.00 0.00 -0.00 0.00 0.00 57.85 55.43 1ija n ARG 67 Cb 0.36 -1.40 0.00 0.00 0.00 0.00 0.00 32.46 31.42 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 1.88 0.00 -2.64 -0.14 -0.02 -1.25 -2.19 135.00 130.64 1ija n PRO 68 Ca 0.17 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1ija n PRO 68 Cb 0.57 -1.13 0.08 0.00 -0.02 0.00 0.00 33.50 33.00 1ija n PRO 68 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1ija n ASN 69 N 0.68 0.08 0.00 2.55 0.23 -1.26 -4.82 115.26 112.72 1ija n ASN 69 Ca 0.00 -2.11 0.00 0.00 -0.53 0.00 0.00 54.58 51.94 1ija n ASN 69 Cb 0.00 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1ija n ASN 69 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ija n TYR 70 N -0.96 0.00 0.00 -2.53 9.36 -0.93 -5.01 117.16 117.08 1ija n TYR 70 Ca -0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 1ija n TYR 70 Cb 0.85 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.56 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 -0.69 2.98 6.02 -1.26 -4.28 117.38 120.15 1ija n GLN 71 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 1ija n GLN 71 Cb 0.00 -0.40 0.25 0.00 1.02 0.00 0.00 30.24 31.11 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 1.65 0.20 1.08 -0.00 0.87 -4.31 117.46 116.92 1ija n PHE 72 Ca 0.00 -0.75 0.07 0.00 -0.00 0.00 0.00 57.45 56.78 1ija n PHE 72 Cb 0.00 -0.48 0.36 0.00 -0.00 0.00 0.00 39.48 39.36 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 2.28 0.71 0.00 -2.13 2.02 -1.72 -3.32 112.91 110.75 1ija h THR 73 Ca 0.11 -1.40 0.00 0.00 0.77 0.00 0.00 66.41 65.89 1ija h THR 73 Cb 1.74 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 1ija h THR 73 CO 0.46 0.31 -0.42 0.59 0.37 0.00 0.00 175.52 176.82 1ija n ASN 74 N -3.43 1.92 0.33 4.18 4.13 -1.26 -4.61 115.26 116.53 1ija n ASN 74 Ca 0.00 -0.31 0.13 0.00 1.68 0.00 0.00 54.58 56.08 1ija n ASN 74 Cb 0.50 1.01 0.72 0.00 -1.54 0.00 0.00 39.78 40.46 1ija n ASN 74 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1ija h LEU 75 N 0.00 0.00 -0.13 3.41 3.38 -1.78 2.29 115.31 122.48 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ija h LEU 75 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ija h LEU 75 CO 0.00 0.00 -0.36 2.29 0.09 0.00 0.00 178.44 180.46 1ija n LYS 76 N -2.83 0.25 0.13 1.13 2.85 -1.26 -3.50 118.16 114.93 1ija n LYS 76 Ca -0.02 -0.13 0.08 0.00 -1.05 0.00 0.00 58.31 57.19 1ija n LYS 76 Cb 0.45 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.37 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 3.21 0.69 -2.71 0.58 0.00 0.36 -3.46 119.26 117.93 1ija h ALA 77 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1ija h ALA 77 Cb 0.49 0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.38 1ija h ALA 77 CO 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.46 1ija n ALA 78 N -2.20 -1.51 -3.00 0.00 0.00 -1.14 -4.92 120.51 107.73 1ija n ALA 78 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 1ija n ALA 78 Cb 0.62 -0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.88 0.83 -0.86 0.00 1.02 -1.26 -5.02 119.74 111.57 1ija s LYS 79 Ca 0.19 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.48 1ija s LYS 79 Cb -0.03 0.36 -0.22 0.00 -0.52 0.00 0.00 37.83 37.42 1ija s LYS 79 CO 0.16 -0.27 2.25 1.17 -0.92 0.00 0.00 175.35 177.74 1ija n LYS 80 N 0.52 0.30 0.00 1.68 4.81 -1.26 -0.11 118.16 124.10 1ija n LYS 80 Ca -0.18 -0.53 0.00 0.00 -0.87 0.00 0.00 58.31 56.73 1ija n LYS 80 Cb 0.60 -2.56 0.00 0.00 0.02 0.00 0.00 35.03 33.09 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 6.19 0.47 3.63 3.14 0.00 -0.87 -4.88 105.19 112.86 1ija n GLY 81 Ca 0.54 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.13 1ija n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ija s SER 82 N 0.00 5.98 1.27 1.61 0.01 0.85 -4.56 113.70 118.85 1ija s SER 82 Ca 0.00 2.05 -0.21 0.00 1.31 0.00 0.00 55.95 59.10 1ija s SER 82 Cb 0.00 -2.52 0.31 0.00 0.21 0.00 0.00 66.02 64.01 1ija s SER 82 CO 0.00 -1.52 1.05 1.15 0.41 0.00 0.00 173.24 174.33 1ija n MET 83 N 8.13 -3.26 -3.93 12.44 0.00 -1.26 -3.07 117.12 126.16 1ija n MET 83 Ca 0.24 -1.68 -0.10 0.00 0.00 0.00 0.00 57.70 56.16 1ija n MET 83 Cb 0.44 -1.63 -0.10 0.00 0.00 0.00 0.00 33.22 31.94 1ija n MET 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1ija s VAL 84 N -2.86 0.12 -0.27 3.17 1.01 -1.10 -4.80 120.40 115.67 1ija s VAL 84 Ca 0.69 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1ija s VAL 84 Cb -0.07 -0.71 0.09 0.00 0.00 0.00 0.00 36.38 35.68 1ija s VAL 84 CO 0.53 -0.56 0.07 -0.31 0.00 0.00 0.00 175.10 174.84 1ija s TYR 85 N -2.21 1.49 -0.40 5.22 2.02 -0.91 -2.93 117.35 119.63 1ija s TYR 85 Ca -0.08 -1.45 -0.18 0.00 -0.37 0.00 0.00 57.07 54.98 1ija s TYR 85 Cb -0.04 -1.47 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 1ija s TYR 85 CO -0.03 -0.80 0.52 0.12 -1.57 0.00 0.00 175.55 173.79 1ija s PHE 86 N 1.70 3.14 0.25 2.71 5.36 -0.88 -2.27 117.98 127.98 1ija s PHE 86 Ca 0.06 -0.10 -0.09 0.00 -0.96 0.00 0.00 56.93 55.84 1ija s PHE 86 Cb -0.17 -3.03 -0.07 0.00 -0.34 0.00 0.00 43.02 39.41 1ija s PHE 86 CO -0.20 -0.69 0.57 0.21 -1.46 0.00 0.00 175.22 173.64 1ija s LYS 87 N 2.42 3.79 0.00 10.12 2.20 0.74 -0.77 119.74 138.23 1ija s LYS 87 Ca 0.17 0.26 -0.15 0.00 -0.36 0.00 0.00 55.97 55.89 1ija s LYS 87 Cb -0.16 -2.63 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 1ija s LYS 87 CO 0.15 0.28 0.32 0.08 -0.36 0.00 0.00 175.35 175.82 1ija s VAL 88 N -1.88 0.06 -1.09 4.02 1.01 0.43 -1.79 120.40 121.16 1ija s VAL 88 Ca 0.47 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ija s VAL 88 Cb -0.11 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.56 1ija s VAL 88 CO 0.23 -0.28 0.61 0.61 0.00 0.00 0.00 175.10 176.26 1ija n GLY 89 N 1.07 -0.18 0.19 4.51 0.00 -1.26 -1.52 105.19 108.01 1ija n GLY 89 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.11 1.93 0.00 1.61 3.02 -1.26 -5.11 115.26 114.34 1ija n ASN 90 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1ija n ASN 90 Cb 0.07 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1ija n ASN 90 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1ija n GLU 91 N -3.72 0.00 -3.84 3.52 2.13 -0.57 -5.15 120.64 113.00 1ija n GLU 91 Ca -0.45 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.12 1ija n GLU 91 Cb 0.88 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.42 1ija n GLU 91 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1ija s THR 92 N -1.94 0.66 0.61 6.31 2.01 -1.26 -0.42 115.64 121.61 1ija s THR 92 Ca 0.00 -0.06 -0.00 0.00 0.31 0.00 0.00 61.69 61.94 1ija s THR 92 Cb 0.00 -0.76 0.06 0.00 0.01 0.00 0.00 72.50 71.81 1ija s THR 92 CO 0.00 0.31 0.85 -0.13 -0.69 0.00 0.00 174.62 174.96 1ija s ARG 93 N 1.83 2.29 0.02 4.92 3.00 0.05 -4.90 118.95 126.16 1ija s ARG 93 Ca 0.04 -0.81 -0.07 0.00 0.00 0.00 0.00 55.73 54.89 1ija s ARG 93 Cb -0.12 -2.42 -0.00 0.00 0.00 0.00 0.00 34.95 32.41 1ija s ARG 93 CO -0.06 -0.95 0.14 0.15 0.00 0.00 0.00 175.30 174.57 1ija s LYS 94 N -4.91 0.56 0.33 3.54 1.02 -1.26 -2.08 119.74 116.94 1ija s LYS 94 Ca 0.60 -0.55 0.07 0.00 0.02 0.00 0.00 55.97 56.11 1ija s LYS 94 Cb -0.09 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.41 1ija s LYS 94 CO 0.40 -0.14 0.26 0.71 -0.92 0.00 0.00 175.35 175.66 1ija s TYR 95 N -1.97 1.72 -0.23 3.18 1.51 -1.15 -4.30 117.35 116.11 1ija s TYR 95 Ca -0.10 -1.62 -0.04 0.00 -1.01 0.00 0.00 57.07 54.30 1ija s TYR 95 Cb -0.04 -0.74 0.09 0.00 -0.11 0.00 0.00 41.96 41.16 1ija s TYR 95 CO -0.01 -0.82 0.16 0.21 -1.11 0.00 0.00 175.55 173.98 1ija s LYS 96 N -3.51 0.17 -0.07 -0.62 2.20 -0.91 -2.71 119.74 114.29 1ija s LYS 96 Ca 0.40 -0.14 -0.38 0.00 -0.36 0.00 0.00 55.97 55.48 1ija s LYS 96 Cb 0.03 -1.32 -0.16 0.00 -1.51 0.00 0.00 37.83 34.87 1ija s LYS 96 CO 0.26 -0.81 1.57 -1.33 -0.36 0.00 0.00 175.35 174.68 1ija n MET 97 N 5.29 1.33 -0.47 4.03 2.81 -1.17 -3.03 117.12 125.89 1ija n MET 97 Ca -0.06 0.48 0.00 0.00 -1.81 0.00 0.00 57.70 56.32 1ija n MET 97 Cb 0.47 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.81 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 3.67 0.00 -3.39 2.03 5.66 -1.21 -2.06 114.28 118.99 1ija n THR 98 Ca 0.22 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.24 1ija n THR 98 Cb 0.18 0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.16 1ija n THR 98 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ija s SER 99 N -0.44 -0.29 -0.01 1.09 1.04 -1.11 -5.00 113.70 108.98 1ija s SER 99 Ca 0.00 0.41 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 1ija s SER 99 Cb 0.00 1.28 0.00 0.00 0.10 0.00 0.00 66.02 67.40 1ija s SER 99 CO 0.00 -0.06 0.11 0.27 0.98 0.00 0.00 173.24 174.54 1ija s ILE 100 N 1.93 0.07 0.00 -1.02 -4.36 -1.26 -0.42 121.20 116.14 1ija s ILE 100 Ca -0.03 -0.59 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 1ija s ILE 100 Cb -0.03 -0.36 0.00 0.00 1.25 0.00 0.00 42.46 43.32 1ija s ILE 100 CO -0.15 -0.32 0.00 0.54 0.24 0.00 0.00 174.94 175.24 1ija n ARG 101 N 1.78 0.00 -3.20 0.37 3.00 -1.08 -4.91 116.66 112.62 1ija n ARG 101 Ca -0.21 0.01 -0.17 0.00 -0.01 0.00 0.00 57.85 57.47 1ija n ARG 101 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 32.46 32.83 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 1ija n ASP 102 N -1.72 -1.98 0.00 0.55 5.68 -0.57 -4.50 116.55 114.01 1ija n ASP 102 Ca 0.00 -0.16 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 1ija n ASP 102 Cb 0.00 -1.75 0.00 0.00 -1.14 0.00 0.00 41.12 38.23 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1ija n VAL 103 N -3.26 0.00 -3.84 2.12 0.31 -1.26 -4.94 118.33 107.46 1ija n VAL 103 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.04 1ija n VAL 103 Cb 0.50 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.32 1ija n VAL 103 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ija s LYS 104 N -0.33 2.59 0.36 5.55 2.20 -1.26 -4.96 119.74 123.89 1ija s LYS 104 Ca 0.00 -3.19 0.18 0.00 -0.36 0.00 0.00 55.97 52.61 1ija s LYS 104 Cb 0.00 -3.55 1.20 0.00 -1.51 0.00 0.00 37.83 33.97 1ija s LYS 104 CO 0.00 -1.25 1.64 -1.35 -0.36 0.00 0.00 175.35 174.03 1ija h PRO 105 N 5.79 0.21 -2.36 4.03 0.11 -1.93 -2.09 132.00 135.77 1ija h PRO 105 Ca 0.11 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 1ija h PRO 105 Cb 0.80 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1ija h PRO 105 CO 0.74 0.14 0.08 0.25 -0.21 0.00 0.00 178.00 179.00 1ija n THR 106 N -5.03 1.11 0.00 -1.15 -2.24 -1.26 -4.32 114.28 101.39 1ija n THR 106 Ca 0.34 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1ija n THR 106 Cb 1.11 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 1ija n THR 106 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ija n ASP 107 N 2.40 0.00 -1.65 3.42 2.03 -0.79 -4.71 116.55 117.26 1ija n ASP 107 Ca 0.11 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.26 1ija n ASP 107 Cb 0.32 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 40.84 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ija n VAL 108 N -0.52 2.75 -1.05 5.18 0.24 -1.26 -5.03 118.33 118.63 1ija n VAL 108 Ca 0.00 -3.26 0.00 0.00 -2.04 0.00 0.00 64.34 59.04 1ija n VAL 108 Cb 0.00 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.64 1ija n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ija n GLY 109 N -0.96 -4.28 0.20 7.63 0.00 -1.26 -4.66 105.19 101.87 1ija n GLY 109 Ca 0.42 -0.58 0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 1.54 1.07 -2.44 1.61 2.07 -1.96 -3.34 116.25 114.79 1ija h VAL 110 Ca 0.00 -1.13 -0.59 0.00 0.82 0.00 0.00 66.70 65.79 1ija h VAL 110 Cb 0.00 1.64 -0.38 0.00 -1.52 0.00 0.00 31.29 31.02 1ija h VAL 110 CO 0.00 0.31 -0.93 -0.76 0.02 0.00 0.00 177.57 176.20 1ija s LEU 111 N -7.87 1.67 0.00 2.57 1.43 -1.26 -5.09 118.68 110.13 1ija s LEU 111 Ca -0.02 -3.07 0.00 0.00 -1.03 0.00 0.00 54.13 50.00 1ija s LEU 111 Cb 0.14 -0.54 0.00 0.00 0.03 0.00 0.00 46.19 45.82 1ija s LEU 111 CO 0.69 -0.17 0.00 -0.67 0.23 0.00 0.00 176.35 176.43 1ija n ASP 112 N 2.86 0.95 -3.85 2.29 2.03 -1.26 -5.10 116.55 114.47 1ija n ASP 112 Ca 0.28 0.00 -0.25 0.00 0.52 0.00 0.00 54.79 55.34 1ija n ASP 112 Cb 0.46 0.00 0.16 0.00 -0.72 0.00 0.00 41.12 41.02 1ija n ASP 112 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ija n GLU 113 N 0.00 -2.02 -2.20 -0.67 2.13 -1.26 -4.73 120.64 111.89 1ija n GLU 113 Ca 0.00 -0.59 -0.42 0.00 0.66 0.00 0.00 57.16 56.81 1ija n GLU 113 Cb 0.00 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.17 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 -1.80 3.70 0.00 5.31 1.13 -1.26 -4.91 117.38 119.55 1ija n GLN 114 Ca 0.04 -3.40 0.00 0.00 -1.94 0.00 0.00 57.00 51.70 1ija n GLN 114 Cb 0.48 -2.91 0.00 0.00 0.11 0.00 0.00 30.24 27.92 1ija n GLN 114 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1ija n LYS 115 N 3.73 0.00 -1.35 -1.09 4.76 -1.26 -4.20 118.16 118.74 1ija n LYS 115 Ca 0.45 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.81 1ija n LYS 115 Cb 0.34 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.46 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 0.13 -0.28 0.00 0.72 0.00 -1.26 -4.54 105.19 99.96 1ija n GLY 116 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ija n GLY 116 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ija n LYS 117 N 6.66 0.00 -4.57 1.61 4.81 -1.26 -5.18 118.16 120.23 1ija n LYS 117 Ca 0.25 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.42 1ija n LYS 117 Cb 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.42 1ija n LYS 117 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ija s ASP 118 N 1.49 3.92 -0.89 3.14 1.01 -1.26 -4.97 116.67 119.10 1ija s ASP 118 Ca 0.00 -1.33 -0.10 0.00 0.71 0.00 0.00 52.55 51.82 1ija s ASP 118 Cb 0.00 -0.40 -0.29 0.00 1.01 0.00 0.00 42.92 43.23 1ija s ASP 118 CO 0.00 -0.44 1.98 1.17 0.21 0.00 0.00 175.17 178.09 1ija n LYS 119 N -0.98 0.00 -3.66 8.23 3.00 -1.26 -4.48 118.16 119.01 1ija n LYS 119 Ca -0.05 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.93 1ija n LYS 119 Cb 0.67 -0.95 -0.05 0.00 0.00 0.00 0.00 35.03 34.70 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1ija s GLN 120 N 6.46 3.66 0.16 1.64 -2.07 -1.11 -2.49 119.66 125.91 1ija s GLN 120 Ca 1.18 0.01 0.04 0.00 -1.82 0.00 0.00 55.36 54.77 1ija s GLN 120 Cb -0.80 -2.95 -0.04 0.00 -1.09 0.00 0.00 33.01 28.13 1ija s GLN 120 CO 0.50 0.54 0.22 -0.51 -1.32 0.00 0.00 175.29 174.71 1ija s LEU 121 N -2.21 4.08 -0.37 2.60 1.43 -1.13 -2.43 118.68 120.66 1ija s LEU 121 Ca 0.35 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 1ija s LEU 121 Cb -0.13 -2.67 0.15 0.00 0.03 0.00 0.00 46.19 43.57 1ija s LEU 121 CO 0.21 0.05 0.24 -0.89 0.23 0.00 0.00 176.35 176.19 1ija s THR 122 N -1.76 0.22 0.40 5.49 2.01 -0.39 -3.00 115.64 118.60 1ija s THR 122 Ca 0.33 -1.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.15 1ija s THR 122 Cb -0.10 -1.17 -0.09 0.00 0.01 0.00 0.00 72.50 71.15 1ija s THR 122 CO 0.26 -1.04 1.08 -0.76 -0.69 0.00 0.00 174.62 173.47 1ija s LEU 123 N 0.83 4.17 0.02 4.42 1.43 -0.98 -2.40 118.68 126.18 1ija s LEU 123 Ca 0.21 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 1ija s LEU 123 Cb -0.17 -4.12 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 1ija s LEU 123 CO -0.04 -0.53 -0.03 -0.63 0.23 0.00 0.00 176.35 175.36 1ija s ILE 124 N -1.58 0.12 0.49 -0.59 1.01 -0.33 -2.63 121.20 117.69 1ija s ILE 124 Ca 0.57 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 60.50 1ija s ILE 124 Cb -0.25 -0.24 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1ija s ILE 124 CO 0.31 -0.41 0.68 0.42 0.00 0.00 0.00 174.94 175.94 1ija s THR 125 N -1.21 2.82 -0.33 2.92 -4.23 -1.15 -2.04 115.64 112.42 1ija s THR 125 Ca -0.13 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1ija s THR 125 Cb -0.08 -2.99 0.15 0.00 1.34 0.00 0.00 72.50 70.92 1ija s THR 125 CO -0.01 0.00 0.38 0.00 -0.54 0.00 0.00 174.62 174.46 1ija s ASP 127 N 2.01 -0.55 -0.80 0.00 -4.77 -1.26 -4.11 116.67 107.19 1ija s ASP 127 Ca 0.13 0.98 -0.02 0.00 -3.30 0.00 0.00 52.55 50.34 1ija s ASP 127 Cb -0.13 1.00 -0.03 0.00 -1.09 0.00 0.00 42.92 42.66 1ija s ASP 127 CO -0.19 -0.26 0.69 0.47 0.70 0.00 0.00 175.17 176.58 1ija n ASP 128 N 2.45 -3.91 -4.68 2.11 8.00 -1.26 -4.05 116.55 115.20 1ija n ASP 128 Ca -0.15 -0.48 -0.42 0.00 0.71 0.00 0.00 54.79 54.45 1ija n ASP 128 Cb 0.56 -3.87 -0.03 0.00 -0.02 0.00 0.00 41.12 37.76 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 2.12 -0.19 1.24 6.14 -1.26 -2.74 117.35 119.39 1ija s TYR 129 Ca 0.19 0.14 -0.25 0.00 0.64 0.00 0.00 57.07 57.78 1ija s TYR 129 Cb -0.02 -4.02 -0.01 0.00 0.42 0.00 0.00 41.96 38.33 1ija s TYR 129 CO 0.53 -4.23 0.84 1.21 0.64 0.00 0.00 175.55 174.54 1ija s ASN 130 N 2.96 6.93 0.00 4.32 3.84 -0.88 -4.79 114.94 127.32 1ija s ASN 130 Ca 0.77 1.15 0.19 0.00 0.21 0.00 0.00 52.86 55.18 1ija s ASN 130 Cb -0.39 -2.45 0.78 0.00 -0.55 0.00 0.00 41.25 38.64 1ija s ASN 130 CO 0.33 -0.43 1.55 -1.84 -2.79 0.00 0.00 177.10 173.93 1ija n GLU 131 N 5.41 1.57 -0.06 0.43 0.28 -1.26 -2.64 120.64 124.37 1ija n GLU 131 Ca 0.05 -0.86 -0.06 0.00 -0.16 0.00 0.00 57.16 56.13 1ija n GLU 131 Cb 0.48 -1.36 -0.05 0.00 1.43 0.00 0.00 31.44 31.94 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 1.71 0.00 0.00 3.44 1.57 -1.93 -3.37 116.57 117.99 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ija h LYS 132 CO 0.00 0.42 -0.95 0.25 -0.57 0.00 0.00 179.45 178.60 1ija n THR 133 N -4.71 0.06 -2.35 -0.16 -2.24 -1.26 -4.98 114.28 98.65 1ija n THR 133 Ca -0.04 -0.11 -0.02 0.00 -2.27 0.00 0.00 64.05 61.61 1ija n THR 133 Cb 0.20 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 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 1.44 0.56 3.18 3.38 0.00 -1.08 -5.07 105.19 107.61 1ija n GLY 134 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.03 0.10 -0.22 1.61 1.01 -1.13 -5.03 120.40 113.70 1ija s VAL 135 Ca 0.03 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 60.90 1ija s VAL 135 Cb -0.01 -0.84 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1ija s VAL 135 CO 0.07 -0.45 2.12 0.26 0.00 0.00 0.00 175.10 177.10 1ija s TRP 136 N -2.33 1.30 0.00 5.22 0.52 -1.26 -2.08 118.94 120.31 1ija s TRP 136 Ca -0.07 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.55 1ija s TRP 136 Cb -0.02 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.32 1ija s TRP 136 CO -0.03 -3.94 0.33 -1.91 0.02 0.00 0.00 176.95 171.42 1ija n GLU 137 N 8.61 0.00 -3.14 4.98 0.00 -1.11 -4.43 120.64 125.55 1ija n GLU 137 Ca 0.28 0.29 -0.36 0.00 0.00 0.00 0.00 57.16 57.36 1ija n GLU 137 Cb 0.45 -0.83 -0.06 0.00 0.00 0.00 0.00 31.44 31.01 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 -0.65 4.22 -0.36 5.31 -0.14 -1.26 -5.00 119.74 121.87 1ija s LYS 138 Ca 0.00 0.82 0.06 0.00 -1.36 0.00 0.00 55.97 55.49 1ija s LYS 138 Cb 0.00 -2.92 0.19 0.00 -1.68 0.00 0.00 37.83 33.41 1ija s LYS 138 CO 0.00 0.43 0.64 -0.98 -0.76 0.00 0.00 175.35 174.68 1ija s ARG 139 N -1.89 0.67 0.78 1.68 1.70 -1.26 -4.37 118.95 116.25 1ija s ARG 139 Ca 0.41 0.09 -0.11 0.00 -0.47 0.00 0.00 55.73 55.64 1ija s ARG 139 Cb -0.17 0.16 0.06 0.00 -0.57 0.00 0.00 34.95 34.42 1ija s ARG 139 CO 0.21 -1.07 1.09 0.15 -1.08 0.00 0.00 175.30 174.60 1ija s LYS 140 N 2.28 2.27 0.04 3.89 1.02 -1.26 -4.78 119.74 123.20 1ija s LYS 140 Ca 0.14 0.70 -0.06 0.00 0.02 0.00 0.00 55.97 56.76 1ija s LYS 140 Cb -0.06 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.31 1ija s LYS 140 CO -0.15 -1.51 0.11 0.42 -0.92 0.00 0.00 175.35 173.30 1ija s ILE 141 N -3.14 0.13 0.13 2.17 1.01 -1.26 -2.95 121.20 117.29 1ija s ILE 141 Ca 0.60 -1.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.13 1ija s ILE 141 Cb -0.14 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.33 1ija s ILE 141 CO 0.54 -0.61 0.07 -0.36 0.00 0.00 0.00 174.94 174.59 1ija s PHE 142 N -2.76 0.80 -0.02 3.97 0.40 -1.08 -1.51 117.98 117.77 1ija s PHE 142 Ca -0.04 -1.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.00 1ija s PHE 142 Cb -0.00 -0.43 0.02 0.00 0.51 0.00 0.00 43.02 43.11 1ija s PHE 142 CO -0.05 -0.53 0.25 0.08 0.70 0.00 0.00 175.22 175.67 1ija s VAL 143 N -4.03 0.06 0.33 -0.44 1.01 0.43 -2.31 120.40 115.45 1ija s VAL 143 Ca 0.22 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1ija s VAL 143 Cb 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 1ija s VAL 143 CO 0.01 -0.25 0.32 0.00 0.00 0.00 0.00 175.10 175.18 1ija s ALA 144 N -1.08 1.64 -0.03 5.51 0.00 -1.16 -2.76 121.76 123.87 1ija s ALA 144 Ca -0.12 -1.97 -0.05 0.00 0.00 0.00 0.00 51.96 49.83 1ija s ALA 144 Cb -0.05 1.41 0.01 0.00 0.00 0.00 0.00 23.12 24.49 1ija s ALA 144 CO 0.03 -0.69 0.12 -0.08 0.00 0.00 0.00 175.76 175.13 1ija s THR 145 N -3.34 0.02 0.70 0.00 -1.32 -1.17 -2.83 115.64 107.70 1ija s THR 145 Ca 0.39 -0.20 -0.16 0.00 -1.21 0.00 0.00 61.69 60.50 1ija s THR 145 Cb 0.02 -0.24 -0.00 0.00 -1.51 0.00 0.00 72.50 70.77 1ija s THR 145 CO 0.26 -0.11 1.02 1.21 -2.21 0.00 0.00 174.62 174.79 1ija n GLU 146 N 2.60 0.63 -2.70 7.08 2.13 -1.04 -2.14 120.64 127.20 1ija n GLU 146 Ca -0.15 0.27 -0.22 0.00 0.66 0.00 0.00 57.16 57.72 1ija n GLU 146 Cb 0.58 -2.26 0.03 0.00 0.27 0.00 0.00 31.44 30.06 1ija n GLU 146 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ija s VAL 147 N -1.72 3.03 -2.00 6.31 -7.23 -1.26 -4.84 120.40 112.69 1ija s VAL 147 Ca 0.75 -0.58 0.30 0.00 -1.81 0.00 0.00 61.98 60.64 1ija s VAL 147 Cb -0.36 -3.14 0.85 0.00 0.56 0.00 0.00 36.38 34.29 1ija s VAL 147 CO 0.48 -0.10 2.11 2.29 -0.31 0.00 0.00 175.10 179.57