#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 1.06 -1.38 0.03 10.64 -1.26 -4.97 117.38 121.50 1ija n GLN 2 Ca 0.00 0.38 -0.00 0.00 -1.83 0.00 0.00 57.00 55.55 1ija n GLN 2 Cb 0.00 -1.83 -0.00 0.00 -0.86 0.00 0.00 30.24 27.55 1ija n GLN 2 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1ija n ALA 3 N -0.53 -0.02 -1.66 2.61 0.00 -1.26 -5.13 120.51 114.53 1ija n ALA 3 Ca 0.10 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1ija n ALA 3 Cb 0.38 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.86 1ija n ALA 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1ija n LYS 4 N -0.01 1.70 0.00 0.00 2.85 -1.26 -4.99 118.16 116.45 1ija n LYS 4 Ca -0.00 0.60 0.00 0.00 -1.05 0.00 0.00 58.31 57.86 1ija n LYS 4 Cb 0.01 -2.21 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 1ija n LYS 4 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1ija n PRO 5 N 0.19 0.00 -3.57 -1.58 -0.04 -1.26 -4.93 135.00 123.82 1ija n PRO 5 Ca 0.08 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.14 1ija n PRO 5 Cb 0.38 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 1ija n PRO 5 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ija s GLN 6 N 0.00 3.54 -0.33 0.54 0.74 -1.26 -5.02 119.66 117.87 1ija s GLN 6 Ca 0.00 -0.61 0.02 0.00 0.05 0.00 0.00 55.36 54.83 1ija s GLN 6 Cb 0.00 -3.72 0.15 0.00 1.10 0.00 0.00 33.01 30.54 1ija s GLN 6 CO 0.00 -0.39 0.38 0.42 -0.55 0.00 0.00 175.29 175.15 1ija s ILE 7 N 1.70 -0.46 0.66 -2.34 1.01 -1.26 -4.98 121.20 115.54 1ija s ILE 7 Ca 0.06 -0.65 -0.17 0.00 0.00 0.00 0.00 60.65 59.89 1ija s ILE 7 Cb -0.17 -0.79 -0.08 0.00 0.01 0.00 0.00 42.46 41.43 1ija s ILE 7 CO 0.10 -0.45 0.36 -2.65 0.00 0.00 0.00 174.94 172.29 1ija n PRO 8 N 4.78 0.31 0.05 2.79 -0.02 -1.26 -4.91 135.00 136.74 1ija n PRO 8 Ca 0.05 0.13 0.11 0.00 -2.02 0.00 0.00 63.50 61.78 1ija n PRO 8 Cb 0.47 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1ija n PRO 8 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ija n LYS 9 N -0.02 0.44 -2.46 -0.52 2.85 -1.26 -4.73 118.16 112.46 1ija n LYS 9 Ca 0.10 0.02 -0.42 0.00 -1.05 0.00 0.00 58.31 56.95 1ija n LYS 9 Cb 0.49 -1.67 -0.02 0.00 -0.65 0.00 0.00 35.03 33.18 1ija n LYS 9 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1ija s ASP 10 N -4.49 6.27 0.00 -5.58 2.15 -1.26 -4.83 116.67 108.93 1ija s ASP 10 Ca 0.01 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1ija s ASP 10 Cb 0.13 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1ija s ASP 10 CO 0.81 -1.59 0.72 0.29 -0.17 0.00 0.00 175.17 175.22 1ija n LYS 11 N 8.51 0.00 -1.42 4.34 4.01 -1.26 -1.75 118.16 130.59 1ija n LYS 11 Ca 0.11 0.25 -0.32 0.00 -0.51 0.00 0.00 58.31 57.84 1ija n LYS 11 Cb 0.49 -1.53 0.08 0.00 -0.51 0.00 0.00 35.03 33.56 1ija n LYS 11 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1ija n SER 12 N -1.22 6.99 -3.74 4.39 2.88 -1.26 -4.70 113.62 116.96 1ija n SER 12 Ca 0.00 -3.77 -0.12 0.00 -1.33 0.00 0.00 58.87 53.64 1ija n SER 12 Cb 0.03 -0.87 -0.12 0.00 -0.75 0.00 0.00 64.21 62.49 1ija n SER 12 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1ija s LYS 13 N -3.76 0.27 0.23 -1.46 2.20 -0.72 -5.13 119.74 111.39 1ija s LYS 13 Ca 0.62 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 56.45 1ija s LYS 13 Cb 0.49 -0.02 -0.11 0.00 -1.51 0.00 0.00 37.83 36.68 1ija s LYS 13 CO 0.00 -0.13 1.63 0.08 -0.36 0.00 0.00 175.35 176.58 1ija s VAL 14 N 0.96 2.18 -0.42 4.02 1.01 -1.26 -4.22 120.40 122.67 1ija s VAL 14 Ca -0.07 0.14 0.22 0.00 0.00 0.00 0.00 61.98 62.27 1ija s VAL 14 Cb -0.08 -3.09 -0.23 0.00 0.00 0.00 0.00 36.38 32.99 1ija s VAL 14 CO -0.07 0.02 0.77 0.00 0.00 0.00 0.00 175.10 175.82 1ija n ALA 15 N 3.21 3.38 -3.00 5.51 0.00 0.20 -4.94 120.51 124.87 1ija n ALA 15 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1ija n ALA 15 Cb 0.37 -0.84 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 1.34 0.96 3.15 0.00 0.00 -1.22 -4.63 105.19 104.79 1ija n GLY 16 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1ija n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ija s TYR 17 N -2.44 -0.47 -0.01 1.61 1.51 -0.46 -2.96 117.35 114.13 1ija s TYR 17 Ca 0.00 1.04 -0.05 0.00 -1.01 0.00 0.00 57.07 57.05 1ija s TYR 17 Cb 0.00 0.14 -0.04 0.00 -0.11 0.00 0.00 41.96 41.95 1ija s TYR 17 CO 0.00 -0.30 0.22 -1.50 -1.11 0.00 0.00 175.55 172.86 1ija s ILE 18 N 1.47 5.37 -0.01 2.71 2.07 -0.25 -0.70 121.20 131.87 1ija s ILE 18 Ca -0.08 0.05 -0.06 0.00 -1.41 0.00 0.00 60.65 59.14 1ija s ILE 18 Cb -0.10 -3.54 0.00 0.00 0.13 0.00 0.00 42.46 38.96 1ija s ILE 18 CO -0.11 0.38 0.13 -1.61 -1.91 0.00 0.00 174.94 171.82 1ija s GLU 19 N -1.75 0.40 -0.14 3.50 2.02 -0.91 -1.99 118.70 119.83 1ija s GLU 19 Ca 0.26 -0.26 -0.09 0.00 0.02 0.00 0.00 54.97 54.90 1ija s GLU 19 Cb -0.13 0.17 0.05 0.00 0.10 0.00 0.00 34.13 34.32 1ija s GLU 19 CO 0.16 -0.09 0.35 0.42 0.02 0.00 0.00 175.26 176.12 1ija s ILE 20 N -1.02 -0.03 -0.10 -1.63 1.01 -0.83 -1.87 121.20 116.73 1ija s ILE 20 Ca -0.11 0.09 -0.26 0.00 0.00 0.00 0.00 60.65 60.37 1ija s ILE 20 Cb -0.06 -0.52 -0.22 0.00 0.01 0.00 0.00 42.46 41.67 1ija s ILE 20 CO 0.01 0.04 0.88 1.55 0.00 0.00 0.00 174.94 177.42 1ija h PRO 21 N 6.86 -0.02 -0.09 2.79 0.13 -1.86 0.27 132.00 140.08 1ija h PRO 21 Ca -0.36 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 1ija h PRO 21 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ija h PRO 21 CO 0.32 0.73 0.46 -0.44 -0.23 0.00 0.00 178.00 178.84 1ija h ASP 22 N -0.85 0.00 -0.02 1.44 5.19 -1.97 0.72 116.42 120.94 1ija h ASP 22 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ija h ASP 22 Cb 0.77 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.28 1ija h ASP 22 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1ija n ALA 23 N -1.91 2.34 -4.28 3.45 0.00 -1.21 -4.43 120.51 114.47 1ija n ALA 23 Ca 0.00 -0.68 -0.37 0.00 0.00 0.00 0.00 53.44 52.39 1ija n ALA 23 Cb 0.53 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.04 -1.95 -4.94 0.00 5.68 0.25 -4.82 116.55 110.74 1ija n ASP 24 Ca 0.01 -1.02 -0.27 0.00 -0.50 0.00 0.00 54.79 53.01 1ija n ASP 24 Cb 0.12 -1.69 -0.03 0.00 -1.14 0.00 0.00 41.12 38.38 1ija n ASP 24 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1ija s ILE 25 N -3.12 5.25 -0.47 2.12 1.01 -0.04 -4.93 121.20 121.02 1ija s ILE 25 Ca 0.73 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.92 1ija s ILE 25 Cb -0.42 -3.75 0.25 0.00 0.01 0.00 0.00 42.46 38.55 1ija s ILE 25 CO 0.90 -0.16 0.95 2.29 0.00 0.00 0.00 174.94 178.92 1ija n LYS 26 N -0.68 0.69 -3.93 2.79 2.85 -1.25 -1.96 118.16 116.66 1ija n LYS 26 Ca -0.06 -1.58 -0.31 0.00 -1.05 0.00 0.00 58.31 55.31 1ija n LYS 26 Cb 0.54 -1.28 -0.04 0.00 -0.65 0.00 0.00 35.03 33.60 1ija n LYS 26 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1ija s GLU 27 N 0.60 3.38 0.47 -1.58 2.02 -0.84 -4.89 118.70 117.86 1ija s GLU 27 Ca 0.31 -0.47 -0.05 0.00 0.02 0.00 0.00 54.97 54.78 1ija s GLU 27 Cb 0.23 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 1ija s GLU 27 CO -0.22 0.60 0.76 -1.25 0.02 0.00 0.00 175.26 175.17 1ija s PRO 28 N -2.53 3.54 -0.04 0.39 0.04 -1.26 -1.09 135.00 134.06 1ija s PRO 28 Ca 0.34 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.54 1ija s PRO 28 Cb -0.13 -2.40 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1ija s PRO 28 CO 0.27 -0.17 -0.03 0.14 0.04 0.00 0.00 177.00 177.25 1ija s VAL 29 N -2.70 0.40 0.27 -0.36 -7.23 -1.16 -3.61 120.40 106.02 1ija s VAL 29 Ca 0.47 -0.06 -0.02 0.00 -1.81 0.00 0.00 61.98 60.56 1ija s VAL 29 Cb -0.10 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1ija s VAL 29 CO 0.44 0.19 0.49 -0.31 -0.31 0.00 0.00 175.10 175.60 1ija s TYR 30 N 0.86 3.48 -0.86 2.82 1.51 -0.85 0.61 117.35 124.92 1ija s TYR 30 Ca -0.10 0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 56.17 1ija s TYR 30 Cb -0.13 -1.96 0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1ija s TYR 30 CO -0.00 0.24 1.30 -1.25 -1.11 0.00 0.00 175.55 174.73 1ija s PRO 31 N -3.65 3.38 0.14 -1.71 0.04 -1.26 -3.22 135.00 128.71 1ija s PRO 31 Ca 0.41 -0.78 -0.17 0.00 0.04 0.00 0.00 61.00 60.50 1ija s PRO 31 Cb -0.11 -4.72 0.06 0.00 0.04 0.00 0.00 34.50 29.77 1ija s PRO 31 CO 0.31 -2.11 0.81 0.41 0.04 0.00 0.00 177.00 176.46 1ija n GLY 32 N 6.00 0.74 3.63 0.56 0.00 -1.26 -4.51 105.19 110.35 1ija n GLY 32 Ca 0.16 -1.09 -0.43 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.04 4.06 -0.77 1.61 0.04 -1.26 -3.36 135.00 133.28 1ija s PRO 33 Ca 0.18 0.98 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 1ija s PRO 33 Cb -0.02 -3.72 -0.23 0.00 0.04 0.00 0.00 34.50 30.57 1ija s PRO 33 CO 0.04 -0.82 1.98 0.00 0.04 0.00 0.00 177.00 178.24 1ija n ALA 34 N 6.64 0.78 -2.60 8.56 0.00 -0.90 -4.85 120.51 128.15 1ija n ALA 34 Ca 0.10 -1.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.19 1ija n ALA 34 Cb 0.47 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 1ija n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ija s THR 35 N 4.27 3.41 0.15 0.00 -4.23 -1.26 -4.98 115.64 113.01 1ija s THR 35 Ca 0.95 -1.48 -0.15 0.00 -1.18 0.00 0.00 61.69 59.82 1ija s THR 35 Cb -0.48 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 70.71 1ija s THR 35 CO 0.33 -0.05 1.77 1.55 -0.54 0.00 0.00 174.62 177.68 1ija h PRO 36 N 3.02 0.63 0.00 3.99 0.13 -1.98 0.58 132.00 138.37 1ija h PRO 36 Ca -0.47 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1ija h PRO 36 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1ija h PRO 36 CO 0.55 0.49 0.00 1.05 -0.23 0.00 0.00 178.00 179.86 1ija h GLU 37 N 0.60 0.00 0.00 0.86 4.11 -1.97 -2.41 114.58 115.77 1ija h GLU 37 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 1ija h GLU 37 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ija h GLU 37 CO -0.03 0.00 -0.04 0.94 0.07 0.00 0.00 179.01 179.95 1ija n GLN 38 N -2.93 0.03 0.24 1.06 -0.06 -0.58 -4.19 117.38 110.95 1ija n GLN 38 Ca -0.01 0.19 0.04 0.00 -2.00 0.00 0.00 57.00 55.22 1ija n GLN 38 Cb 0.14 -0.74 0.24 0.00 -4.06 0.00 0.00 30.24 25.82 1ija n GLN 38 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1ija h LEU 39 N -0.06 0.00 -2.28 1.69 3.38 -1.00 1.45 115.31 118.49 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 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ija h LEU 39 CO 0.00 0.00 -0.04 0.78 0.09 0.00 0.00 178.44 179.27 1ija h ASN 40 N 0.00 0.00 0.94 -0.43 4.21 -1.59 0.44 115.58 119.14 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 1.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1ija h ASN 40 CO 0.00 0.04 -0.36 0.54 -1.29 0.00 0.00 177.43 176.36 1ija n ARG 41 N -3.75 0.17 0.00 0.81 1.74 0.50 -5.01 116.66 111.13 1ija n ARG 41 Ca -0.03 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ija n ARG 41 Cb 0.14 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.39 -0.66 3.22 -0.13 0.00 0.15 -5.10 105.19 104.06 1ija n GLY 42 Ca 0.05 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 46.13 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 1.11 0.04 1.61 1.01 -1.24 -4.31 120.40 118.63 1ija s VAL 43 Ca 0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 61.98 59.99 1ija s VAL 43 Cb 0.00 -1.57 0.04 0.00 0.00 0.00 0.00 36.38 34.85 1ija s VAL 43 CO 0.00 -0.59 0.41 -0.55 0.00 0.00 0.00 175.10 174.37 1ija s SER 44 N -2.70 -0.28 1.20 3.32 0.15 -1.18 -2.01 113.70 112.19 1ija s SER 44 Ca 0.10 0.02 -0.17 0.00 0.70 0.00 0.00 55.95 56.60 1ija s SER 44 Cb -0.01 0.42 0.23 0.00 -1.71 0.00 0.00 66.02 64.95 1ija s SER 44 CO 0.01 -0.65 0.57 0.49 1.20 0.00 0.00 173.24 174.86 1ija n PHE 45 N 0.56 -1.78 0.13 3.44 3.72 -1.20 -2.50 117.46 119.84 1ija n PHE 45 Ca -0.19 -0.14 0.01 0.00 -0.05 0.00 0.00 57.45 57.09 1ija n PHE 45 Cb 0.59 -1.57 0.06 0.00 -0.94 0.00 0.00 39.48 37.62 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 -2.62 0.67 -3.18 4.37 0.00 0.22 -2.39 119.26 116.33 1ija h ALA 46 Ca -0.55 -0.53 -0.29 0.00 0.00 0.00 0.00 54.91 53.54 1ija h ALA 46 Cb 1.31 -0.09 -0.21 0.00 0.00 0.00 0.00 17.79 18.80 1ija h ALA 46 CO 0.40 0.72 -0.74 -1.83 0.00 0.00 0.00 179.25 177.81 1ija s GLU 47 N -3.04 0.58 0.42 0.00 -1.05 -1.26 -3.27 118.70 111.08 1ija s GLU 47 Ca 0.03 -0.80 0.09 0.00 -0.15 0.00 0.00 54.97 54.14 1ija s GLU 47 Cb 0.09 -0.37 0.90 0.00 -0.44 0.00 0.00 34.13 34.30 1ija s GLU 47 CO 0.75 0.07 2.02 1.49 0.95 0.00 0.00 175.26 180.54 1ija h GLU 48 N 4.43 0.35 -0.31 -4.83 4.81 -1.88 -1.96 114.58 115.20 1ija h GLU 48 Ca -0.37 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1ija h GLU 48 Cb 1.20 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1ija h GLU 48 CO 0.41 0.31 0.00 -1.71 -0.73 0.00 0.00 179.01 177.29 1ija n ASN 49 N -4.42 1.35 -4.76 1.04 5.15 -1.26 -4.50 115.26 107.87 1ija n ASN 49 Ca 0.01 -2.04 -0.38 0.00 -0.60 0.00 0.00 54.58 51.57 1ija n ASN 49 Cb 0.14 -0.20 0.03 0.00 -0.53 0.00 0.00 39.78 39.21 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1ija s GLU 50 N -1.68 3.27 0.01 1.20 2.12 -0.74 -5.00 118.70 117.88 1ija s GLU 50 Ca 0.15 2.03 -0.12 0.00 0.36 0.00 0.00 54.97 57.39 1ija s GLU 50 Cb 0.08 -2.23 0.01 0.00 0.26 0.00 0.00 34.13 32.26 1ija s GLU 50 CO 0.09 -1.03 0.25 -1.54 -0.54 0.00 0.00 175.26 172.49 1ija s SER 51 N -1.19 -0.09 0.00 -1.70 1.04 -1.26 -4.98 113.70 105.52 1ija s SER 51 Ca 0.71 -0.12 0.09 0.00 0.48 0.00 0.00 55.95 57.11 1ija s SER 51 Cb -0.35 0.29 0.46 0.00 0.10 0.00 0.00 66.02 66.51 1ija s SER 51 CO 0.41 -0.48 1.16 0.00 0.98 0.00 0.00 173.24 175.31 1ija n LEU 52 N 1.08 0.00 0.06 2.42 -0.00 -1.26 -0.62 117.00 118.68 1ija n LEU 52 Ca -0.21 0.28 0.06 0.00 -0.00 0.00 0.00 56.01 56.14 1ija n LEU 52 Cb 0.57 -0.28 -0.06 0.00 -0.00 0.00 0.00 43.42 43.66 1ija n LEU 52 CO 0.22 -0.19 -0.23 -0.67 -0.00 0.00 0.00 177.39 176.51 1ija n ASP 53 N -1.28 0.73 -4.55 1.45 2.03 -1.26 -4.79 116.55 108.88 1ija n ASP 53 Ca 0.04 0.30 -0.36 0.00 0.52 0.00 0.00 54.79 55.29 1ija n ASP 53 Cb 0.07 0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.98 1ija n ASP 53 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1ija s ASP 54 N -5.43 4.49 0.66 1.67 1.01 0.21 -4.71 116.67 114.57 1ija s ASP 54 Ca -0.03 1.14 0.07 0.00 0.71 0.00 0.00 52.55 54.44 1ija s ASP 54 Cb 0.10 -2.50 0.39 0.00 1.01 0.00 0.00 42.92 41.91 1ija s ASP 54 CO 0.81 -2.83 1.21 -0.61 0.21 0.00 0.00 175.17 173.96 1ija h GLN 55 N 19.36 0.00 -4.33 8.23 4.15 -1.87 -3.07 115.11 137.58 1ija h GLN 55 Ca -0.25 0.00 -0.67 0.00 0.77 0.00 0.00 58.65 58.50 1ija h GLN 55 Cb 1.27 0.00 -0.38 0.00 0.21 0.00 0.00 27.48 28.58 1ija h GLN 55 CO 1.15 0.00 -0.61 1.21 -1.93 0.00 0.00 178.83 178.64 1ija s ASN 56 N -3.33 4.92 0.08 -0.69 3.84 -1.26 -3.11 114.94 115.39 1ija s ASN 56 Ca -0.01 -2.31 -0.07 0.00 0.21 0.00 0.00 52.86 50.69 1ija s ASN 56 Cb 0.02 -1.72 -0.05 0.00 -0.55 0.00 0.00 41.25 38.95 1ija s ASN 56 CO 0.07 -0.41 0.35 -0.63 -2.79 0.00 0.00 177.10 173.69 1ija s ILE 57 N 0.72 5.19 -0.20 -5.21 1.01 -1.16 -4.97 121.20 116.57 1ija s ILE 57 Ca 0.12 0.20 -0.04 0.00 0.00 0.00 0.00 60.65 60.92 1ija s ILE 57 Cb -0.21 -3.61 0.09 0.00 0.01 0.00 0.00 42.46 38.73 1ija s ILE 57 CO -0.05 0.22 0.21 -0.44 0.00 0.00 0.00 174.94 174.88 1ija s SER 58 N -2.00 1.51 0.37 3.58 0.01 -1.26 -1.51 113.70 114.39 1ija s SER 58 Ca 0.34 -0.29 0.08 0.00 1.31 0.00 0.00 55.95 57.39 1ija s SER 58 Cb -0.13 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.38 1ija s SER 58 CO 0.20 -0.33 0.27 -0.63 0.41 0.00 0.00 173.24 173.15 1ija s ILE 59 N 2.31 2.96 -0.05 1.44 1.01 -0.98 0.21 121.20 128.10 1ija s ILE 59 Ca 0.07 -1.49 -0.03 0.00 0.00 0.00 0.00 60.65 59.20 1ija s ILE 59 Cb -0.16 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1ija s ILE 59 CO -0.13 -0.10 0.12 0.00 0.00 0.00 0.00 174.94 174.83 1ija s ALA 60 N -2.43 -0.24 0.06 9.38 0.00 -1.04 -1.17 121.76 126.32 1ija s ALA 60 Ca 0.42 0.46 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 1ija s ALA 60 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 1ija s ALA 60 CO 0.25 -0.10 0.08 0.20 0.00 0.00 0.00 175.76 176.20 1ija s GLY 61 N 0.59 0.25 0.35 0.00 0.00 -0.47 -3.11 107.32 104.94 1ija s GLY 61 Ca -0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 1ija s GLY 61 CO -0.03 -0.93 0.37 1.42 0.00 0.00 0.00 173.10 173.94 1ija n HIS 62 N 0.33 -3.54 -2.68 1.90 8.25 -1.26 0.57 115.22 118.79 1ija n HIS 62 Ca -0.16 -0.33 -0.04 0.00 -0.26 0.00 0.00 57.72 56.93 1ija n HIS 62 Cb 0.60 -0.34 0.04 0.00 1.12 0.00 0.00 29.99 31.41 1ija n HIS 62 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1ija n THR 63 N -2.99 0.00 -3.06 1.59 5.66 -1.19 0.17 114.28 114.46 1ija n THR 63 Ca 0.05 -0.37 -0.41 0.00 -3.05 0.00 0.00 64.05 60.26 1ija n THR 63 Cb 0.18 0.75 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 1ija n THR 63 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1ija s PHE 64 N 0.78 3.26 0.54 1.09 0.08 -1.26 -4.70 117.98 117.76 1ija s PHE 64 Ca 0.25 0.81 0.25 0.00 0.12 0.00 0.00 56.93 58.36 1ija s PHE 64 Cb 0.14 -2.95 1.58 0.00 -0.57 0.00 0.00 43.02 41.21 1ija s PHE 64 CO -0.10 -0.40 2.18 0.82 -0.10 0.00 0.00 175.22 177.62 1ija h ILE 65 N 5.47 0.69 -0.07 0.64 2.04 -1.96 -0.79 117.51 123.52 1ija h ILE 65 Ca -0.26 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1ija h ILE 65 Cb 1.11 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1ija h ILE 65 CO 0.81 0.04 0.00 -0.67 0.00 0.00 0.00 178.15 178.32 1ija n ASP 66 N -4.00 0.95 -3.02 1.72 2.03 -1.26 -4.17 116.55 108.80 1ija n ASP 66 Ca -0.03 -2.05 -0.15 0.00 0.52 0.00 0.00 54.79 53.09 1ija n ASP 66 Cb 0.12 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.22 1ija n ASP 66 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ija n ARG 67 N -0.11 0.50 0.00 -0.67 1.74 -0.30 -5.00 116.66 112.83 1ija n ARG 67 Ca 0.03 -2.51 0.00 0.00 -0.77 0.00 0.00 57.85 54.60 1ija n ARG 67 Cb 0.20 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1ija n ARG 67 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1ija n PRO 68 N 2.44 0.00 -2.77 5.56 -0.02 -1.26 -1.80 135.00 137.15 1ija n PRO 68 Ca 0.21 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.58 1ija n PRO 68 Cb 0.54 -0.94 0.05 0.00 -0.02 0.00 0.00 33.50 33.13 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 -0.13 0.21 -3.62 2.55 3.02 -1.26 -4.80 115.26 111.23 1ija n ASN 69 Ca 0.00 -2.79 -0.29 0.00 -0.03 0.00 0.00 54.58 51.47 1ija n ASN 69 Cb 0.00 0.04 -0.15 0.00 -0.61 0.00 0.00 39.78 39.05 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ija s TYR 70 N -1.91 0.84 0.00 3.10 5.04 -0.75 -5.03 117.35 118.63 1ija s TYR 70 Ca 0.28 -1.16 0.00 0.00 -2.44 0.00 0.00 57.07 53.74 1ija s TYR 70 Cb 0.41 -1.19 0.00 0.00 0.35 0.00 0.00 41.96 41.53 1ija s TYR 70 CO -0.02 -0.83 0.00 1.04 -1.34 0.00 0.00 175.55 174.40 1ija n GLN 71 N 5.10 0.00 -0.75 4.97 3.00 -1.26 -1.52 117.38 126.91 1ija n GLN 71 Ca -0.05 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.80 1ija n GLN 71 Cb 0.42 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.74 1ija n GLN 71 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1ija n PHE 72 N 14.00 1.61 0.21 1.08 3.01 0.44 -4.47 117.46 133.34 1ija n PHE 72 Ca 0.00 -1.54 0.16 0.00 1.01 0.00 0.00 57.45 57.08 1ija n PHE 72 Cb 0.00 -0.76 0.80 0.00 -0.01 0.00 0.00 39.48 39.51 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ija h THR 73 N 0.71 0.58 0.00 4.37 2.02 -1.36 -3.16 112.91 116.07 1ija h THR 73 Ca 0.32 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.50 1ija h THR 73 Cb 1.53 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1ija h THR 73 CO 0.67 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.10 1ija n ASN 74 N -3.98 0.00 0.29 4.18 0.23 -1.26 -4.78 115.26 109.93 1ija n ASN 74 Ca 0.01 -1.00 0.18 0.00 -0.53 0.00 0.00 54.58 53.24 1ija n ASN 74 Cb 0.28 0.00 0.89 0.00 -2.08 0.00 0.00 39.78 38.87 1ija n ASN 74 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1ija h LEU 75 N 0.00 0.00 0.00 -4.53 6.46 -1.79 1.95 115.31 117.40 1ija h LEU 75 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ija h LEU 75 Cb 0.71 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1ija h LEU 75 CO 0.00 0.00 -0.26 0.11 -0.62 0.00 0.00 178.44 177.67 1ija h LYS 76 N 0.00 0.00 0.00 1.25 1.57 -1.87 -3.09 116.57 114.43 1ija h LYS 76 Ca 0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ija h LYS 76 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ija h LYS 76 CO -0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 179.45 178.85 1ija h ALA 77 N 2.15 1.23 -3.00 3.86 0.00 0.28 -3.42 119.26 120.35 1ija h ALA 77 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ija h ALA 77 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ija h ALA 77 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1ija n ALA 78 N -2.21 0.00 -3.14 0.00 0.00 -1.17 -4.95 120.51 109.05 1ija n ALA 78 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.30 1ija n ALA 78 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1ija n ALA 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ija s LYS 79 N -2.17 1.04 -0.84 0.00 -2.85 -1.26 -5.02 119.74 108.63 1ija s LYS 79 Ca 0.00 -0.50 -0.19 0.00 -1.00 0.00 0.00 55.97 54.28 1ija s LYS 79 Cb 0.00 0.46 -0.21 0.00 -2.06 0.00 0.00 37.83 36.03 1ija s LYS 79 CO 0.00 -0.39 2.22 1.17 0.10 0.00 0.00 175.35 178.45 1ija n LYS 80 N 0.09 0.30 0.00 1.78 4.81 -1.26 -0.32 118.16 123.56 1ija n LYS 80 Ca -0.17 -0.60 0.00 0.00 -0.87 0.00 0.00 58.31 56.66 1ija n LYS 80 Cb 0.62 -2.68 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 6.18 0.24 3.65 3.14 0.00 -1.26 -4.97 105.19 112.18 1ija n GLY 81 Ca 0.51 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 6.51 1.16 1.61 1.04 0.57 -4.69 113.70 119.90 1ija s SER 82 Ca 0.00 2.33 -0.20 0.00 0.48 0.00 0.00 55.95 58.56 1ija s SER 82 Cb 0.00 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.87 1ija s SER 82 CO 0.00 -1.05 1.20 -0.04 0.98 0.00 0.00 173.24 174.33 1ija s MET 83 N 4.35 -0.92 0.11 4.02 -1.94 -1.26 -3.17 119.30 120.49 1ija s MET 83 Ca 0.80 -0.33 -0.08 0.00 -1.71 0.00 0.00 55.69 54.37 1ija s MET 83 Cb -0.36 -1.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.82 1ija s MET 83 CO 0.34 -3.47 0.19 0.08 -0.01 0.00 0.00 175.02 172.16 1ija s VAL 84 N -3.36 0.12 -0.27 -6.03 1.01 -0.79 -4.56 120.40 106.53 1ija s VAL 84 Ca 0.74 -1.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ija s VAL 84 Cb -0.05 -1.53 0.13 0.00 0.00 0.00 0.00 36.38 34.93 1ija s VAL 84 CO 0.55 -0.57 0.30 -0.31 0.00 0.00 0.00 175.10 175.07 1ija s TYR 85 N -3.90 -0.51 -0.40 5.22 1.51 -0.78 -2.67 117.35 115.81 1ija s TYR 85 Ca 0.09 0.06 -0.18 0.00 -1.01 0.00 0.00 57.07 56.03 1ija s TYR 85 Cb 0.05 -0.36 0.01 0.00 -0.11 0.00 0.00 41.96 41.55 1ija s TYR 85 CO -0.07 -0.84 0.51 0.12 -1.11 0.00 0.00 175.55 174.15 1ija s PHE 86 N 2.39 3.15 0.05 2.71 5.36 -0.90 -2.14 117.98 128.60 1ija s PHE 86 Ca 0.09 -0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 55.88 1ija s PHE 86 Cb -0.14 -3.00 -0.05 0.00 -0.34 0.00 0.00 43.02 39.48 1ija s PHE 86 CO -0.27 -0.67 0.35 0.15 -1.46 0.00 0.00 175.22 173.32 1ija s LYS 87 N 2.38 3.69 -0.31 10.12 1.02 0.13 -2.31 119.74 134.45 1ija s LYS 87 Ca 0.17 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1ija s LYS 87 Cb -0.16 -3.04 0.14 0.00 -0.52 0.00 0.00 37.83 34.25 1ija s LYS 87 CO 0.15 0.60 0.29 0.08 -0.92 0.00 0.00 175.35 175.55 1ija s VAL 88 N -1.35 -0.31 0.00 3.17 1.01 0.12 -1.35 120.40 121.68 1ija s VAL 88 Ca 0.31 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1ija s VAL 88 Cb -0.14 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1ija s VAL 88 CO 0.17 -0.56 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1ija n GLY 89 N 4.94 2.88 2.16 4.51 0.00 -1.26 -1.07 105.19 117.35 1ija n GLY 89 Ca 0.02 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 2.26 6.29 -3.60 1.61 3.02 -1.26 -4.78 115.26 118.80 1ija n ASN 90 Ca 0.00 -2.65 -0.14 0.00 -0.03 0.00 0.00 54.58 51.76 1ija n ASN 90 Cb 0.00 -1.42 -0.07 0.00 -0.61 0.00 0.00 39.78 37.69 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1ija s GLU 91 N 0.69 0.81 -0.07 3.52 2.12 -0.23 -5.17 118.70 120.37 1ija s GLU 91 Ca 0.66 0.66 -0.19 0.00 0.36 0.00 0.00 54.97 56.46 1ija s GLU 91 Cb 0.29 0.39 0.04 0.00 0.26 0.00 0.00 34.13 35.12 1ija s GLU 91 CO -0.05 -0.16 0.44 0.99 -0.54 0.00 0.00 175.26 175.94 1ija s THR 92 N -0.18 0.03 0.32 -1.70 2.01 -1.26 0.13 115.64 114.99 1ija s THR 92 Ca -0.02 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1ija s THR 92 Cb -0.03 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.75 1ija s THR 92 CO 0.02 -0.12 0.32 0.00 -0.69 0.00 0.00 174.62 174.14 1ija s ARG 93 N -0.82 1.74 0.09 4.92 3.03 -0.98 -5.01 118.95 121.92 1ija s ARG 93 Ca -0.09 -1.90 -0.06 0.00 2.03 0.00 0.00 55.73 55.71 1ija s ARG 93 Cb -0.03 0.35 -0.02 0.00 -1.03 0.00 0.00 34.95 34.22 1ija s ARG 93 CO 0.04 -0.66 0.12 -1.59 -1.13 0.00 0.00 175.30 172.08 1ija s LYS 94 N -3.42 0.82 0.34 3.89 -2.85 -1.26 -2.12 119.74 115.14 1ija s LYS 94 Ca 0.38 -1.11 0.06 0.00 -1.00 0.00 0.00 55.97 54.30 1ija s LYS 94 Cb 0.02 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.06 1ija s LYS 94 CO 0.24 -0.24 0.32 0.66 0.10 0.00 0.00 175.35 176.43 1ija n TYR 95 N -0.03 -0.91 -3.73 1.78 4.02 -1.09 -4.68 117.16 112.53 1ija n TYR 95 Ca -0.13 -2.75 -0.12 0.00 -0.01 0.00 0.00 57.90 54.88 1ija n TYR 95 Cb 0.62 0.34 -0.13 0.00 -0.02 0.00 0.00 39.34 40.15 1ija n TYR 95 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ija s LYS 96 N -3.28 0.23 0.60 -0.72 2.20 -1.15 -1.88 119.74 115.74 1ija s LYS 96 Ca 0.39 0.55 -0.18 0.00 -0.36 0.00 0.00 55.97 56.37 1ija s LYS 96 Cb 0.01 -0.10 -0.08 0.00 -1.51 0.00 0.00 37.83 36.15 1ija s LYS 96 CO 0.27 -0.16 0.44 -1.33 -0.36 0.00 0.00 175.35 174.22 1ija n MET 97 N 4.17 0.42 0.00 4.03 2.81 -1.19 -2.69 117.12 124.67 1ija n MET 97 Ca -0.24 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1ija n MET 97 Cb 0.53 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 1ija n MET 97 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ija n THR 98 N -1.81 0.00 -3.52 2.03 -1.04 -1.21 -4.44 114.28 104.28 1ija n THR 98 Ca 0.11 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1ija n THR 98 Cb 0.48 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 1ija n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ija s SER 99 N 0.00 -0.61 -0.03 8.00 0.15 -1.05 -4.99 113.70 115.17 1ija s SER 99 Ca 0.00 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.55 1ija s SER 99 Cb 0.00 1.54 0.02 0.00 -1.71 0.00 0.00 66.02 65.87 1ija s SER 99 CO 0.00 -0.13 -0.02 -0.63 1.20 0.00 0.00 173.24 173.66 1ija s ILE 100 N 2.05 0.26 -0.06 6.45 1.01 -1.26 -0.63 121.20 129.01 1ija s ILE 100 Ca -0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.53 1ija s ILE 100 Cb -0.06 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1ija s ILE 100 CO -0.17 0.14 -0.12 0.54 0.00 0.00 0.00 174.94 175.34 1ija n ARG 101 N 3.87 0.18 -0.96 2.79 1.74 -1.16 -4.90 116.66 118.22 1ija n ARG 101 Ca -0.24 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 56.86 1ija n ARG 101 Cb 0.52 -0.80 -0.02 0.00 -1.02 0.00 0.00 32.46 31.14 1ija n ARG 101 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1ija n ASP 102 N -3.17 -1.95 0.00 0.55 -0.08 -1.11 -4.42 116.55 106.37 1ija n ASP 102 Ca -0.05 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1ija n ASP 102 Cb 0.17 -1.87 0.00 0.00 2.34 0.00 0.00 41.12 41.76 1ija n ASP 102 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1ija n VAL 103 N -1.25 0.00 -3.50 5.18 0.31 -1.26 -4.94 118.33 112.87 1ija n VAL 103 Ca -0.05 -0.14 -0.21 0.00 -0.01 0.00 0.00 64.34 63.93 1ija n VAL 103 Cb 0.22 0.99 0.06 0.00 -0.91 0.00 0.00 33.84 34.19 1ija n VAL 103 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1ija n LYS 104 N -0.28 -3.06 0.03 5.55 4.81 -1.26 -4.94 118.16 119.01 1ija n LYS 104 Ca 0.00 0.69 -0.10 0.00 -0.87 0.00 0.00 58.31 58.04 1ija n LYS 104 Cb 0.00 -5.20 -0.07 0.00 0.02 0.00 0.00 35.03 29.77 1ija n LYS 104 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1ija h PRO 105 N -1.58 -0.16 0.11 1.64 0.13 -1.96 -3.36 132.00 126.82 1ija h PRO 105 Ca -0.62 0.01 -0.31 0.00 -0.87 0.00 0.00 66.00 64.21 1ija h PRO 105 Cb 1.34 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 1ija h PRO 105 CO 0.49 0.28 -1.54 0.00 -0.23 0.00 0.00 178.00 176.99 1ija h THR 106 N -0.92 1.13 0.00 1.56 1.03 -1.98 -3.47 112.91 110.27 1ija h THR 106 Ca -0.02 -2.78 0.00 0.00 -0.01 0.00 0.00 66.41 63.60 1ija h THR 106 Cb 0.51 2.74 0.00 0.00 -1.07 0.00 0.00 68.15 70.34 1ija h THR 106 CO 0.03 0.81 0.00 0.47 -0.01 0.00 0.00 175.52 176.82 1ija n ASP 107 N -3.44 0.00 -2.04 0.00 9.92 -1.26 -4.05 116.55 115.68 1ija n ASP 107 Ca -0.17 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 53.87 1ija n ASP 107 Cb 1.04 0.00 0.11 0.00 -0.64 0.00 0.00 41.12 41.64 1ija n ASP 107 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1ija n VAL 108 N 0.00 2.96 -0.86 2.53 0.24 -1.26 -4.12 118.33 117.82 1ija n VAL 108 Ca 0.00 -1.86 0.03 0.00 -2.04 0.00 0.00 64.34 60.47 1ija n VAL 108 Cb 0.00 -0.82 0.05 0.00 -1.47 0.00 0.00 33.84 31.60 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 -0.66 2.30 0.19 7.63 0.00 -1.26 -4.72 105.19 108.67 1ija n GLY 109 Ca 0.49 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 1.62 1.35 -2.15 1.61 2.07 -1.94 -3.37 116.25 115.45 1ija h VAL 110 Ca 0.00 -1.91 -0.57 0.00 0.82 0.00 0.00 66.70 65.04 1ija h VAL 110 Cb 0.90 1.91 -0.39 0.00 -1.52 0.00 0.00 31.29 32.18 1ija h VAL 110 CO 0.00 0.58 -1.00 0.18 0.02 0.00 0.00 177.57 177.34 1ija n LEU 111 N -3.91 0.51 -0.29 2.57 4.32 -1.26 -4.84 117.00 114.11 1ija n LEU 111 Ca -0.03 -4.72 -0.01 0.00 -0.02 0.00 0.00 56.01 51.24 1ija n LEU 111 Cb 0.62 0.42 -0.01 0.00 -1.62 0.00 0.00 43.42 42.84 1ija n LEU 111 CO 0.46 2.01 0.10 -0.67 -1.22 0.00 0.00 177.39 178.07 1ija n ASP 112 N 1.70 -0.08 -0.87 -1.43 -0.08 -1.26 -4.97 116.55 109.56 1ija n ASP 112 Ca 0.24 -0.44 -0.05 0.00 -1.51 0.00 0.00 54.79 53.02 1ija n ASP 112 Cb 0.50 0.02 -0.05 0.00 2.34 0.00 0.00 41.12 43.93 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ija n GLU 113 N 0.00 0.00 0.00 -0.67 0.28 -1.26 -4.91 120.64 114.08 1ija n GLU 113 Ca -0.02 -0.76 0.00 0.00 -0.16 0.00 0.00 57.16 56.22 1ija n GLU 113 Cb 0.23 0.46 0.00 0.00 1.43 0.00 0.00 31.44 33.56 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 0.00 0.72 0.07 3.44 6.02 -1.26 -4.87 117.38 121.50 1ija n GLN 114 Ca -0.21 -0.71 -0.03 0.00 -0.01 0.00 0.00 57.00 56.03 1ija n GLN 114 Cb 0.61 -0.64 -0.02 0.00 1.02 0.00 0.00 30.24 31.21 1ija n GLN 114 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ija h LYS 115 N 0.00 -0.20 -3.37 -1.09 1.57 -1.95 -3.34 116.57 108.19 1ija h LYS 115 Ca 0.00 0.01 -0.70 0.00 -1.87 0.00 0.00 60.65 58.09 1ija h LYS 115 Cb 0.81 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 1ija h LYS 115 CO 0.00 -0.14 3.24 0.41 -0.57 0.00 0.00 179.45 182.40 1ija n GLY 116 N 0.70 4.48 0.00 3.86 0.00 -1.26 -4.80 105.19 108.17 1ija n GLY 116 Ca -0.03 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 4.31 0.00 -4.11 1.61 4.81 -1.25 -5.17 118.16 118.36 1ija n LYS 117 Ca 0.63 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.85 1ija n LYS 117 Cb 0.30 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.31 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 1.20 5.47 -0.09 3.14 1.01 -1.26 -5.02 116.67 121.11 1ija s ASP 118 Ca 0.00 -0.28 -0.40 0.00 0.71 0.00 0.00 52.55 52.58 1ija s ASP 118 Cb 0.00 -1.36 -0.18 0.00 1.01 0.00 0.00 42.92 42.40 1ija s ASP 118 CO 0.00 -0.05 1.37 0.29 0.21 0.00 0.00 175.17 176.99 1ija n LYS 119 N -1.18 0.66 -3.99 8.23 5.02 -1.26 -4.81 118.16 120.83 1ija n LYS 119 Ca -0.07 0.24 -0.10 0.00 -2.02 0.00 0.00 58.31 56.36 1ija n LYS 119 Cb 0.58 -1.83 -0.06 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.27 1.38 0.18 1.97 0.00 -1.18 -1.89 119.66 121.38 1ija s GLN 120 Ca 0.92 -1.25 0.10 0.00 -0.00 0.00 0.00 55.36 55.13 1ija s GLN 120 Cb -1.14 0.42 -0.04 0.00 0.00 0.00 0.00 33.01 32.25 1ija s GLN 120 CO 0.58 -0.54 -0.16 -0.51 0.00 0.00 0.00 175.29 174.66 1ija s LEU 121 N -3.01 2.74 -0.37 2.60 1.43 0.13 -3.05 118.68 119.15 1ija s LEU 121 Ca 0.22 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1ija s LEU 121 Cb 0.01 -1.46 0.15 0.00 0.03 0.00 0.00 46.19 44.93 1ija s LEU 121 CO 0.06 0.12 0.27 -0.89 0.23 0.00 0.00 176.35 176.13 1ija s THR 122 N -1.65 0.17 0.51 5.49 2.01 -0.57 -2.65 115.64 118.95 1ija s THR 122 Ca 0.23 -2.00 -0.07 0.00 0.31 0.00 0.00 61.69 60.16 1ija s THR 122 Cb -0.09 -1.13 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 1ija s THR 122 CO 0.13 -1.05 0.84 -0.76 -0.69 0.00 0.00 174.62 173.09 1ija s LEU 123 N 0.73 3.54 -0.03 4.42 1.43 -0.88 -2.32 118.68 125.58 1ija s LEU 123 Ca 0.23 1.06 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 1ija s LEU 123 Cb -0.13 -4.03 0.03 0.00 0.03 0.00 0.00 46.19 42.09 1ija s LEU 123 CO -0.07 -0.64 0.05 -0.63 0.23 0.00 0.00 176.35 175.29 1ija s ILE 124 N -2.83 -0.08 -0.28 -0.59 1.01 -0.32 -3.04 121.20 115.07 1ija s ILE 124 Ca 0.49 0.29 -0.20 0.00 0.00 0.00 0.00 60.65 61.24 1ija s ILE 124 Cb -0.10 -0.11 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1ija s ILE 124 CO 0.46 0.12 0.62 0.42 0.00 0.00 0.00 174.94 176.56 1ija s THR 125 N 1.47 4.97 0.15 2.92 -4.23 -1.17 -1.36 115.64 118.39 1ija s THR 125 Ca -0.04 0.96 0.01 0.00 -1.18 0.00 0.00 61.69 61.45 1ija s THR 125 Cb -0.13 -3.95 -0.04 0.00 1.34 0.00 0.00 72.50 69.72 1ija s THR 125 CO -0.03 -0.05 0.30 0.00 -0.54 0.00 0.00 174.62 174.30 1ija n ASP 127 N -0.47 0.00 -3.02 0.00 2.03 -1.26 -3.16 116.55 110.67 1ija n ASP 127 Ca -0.06 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.23 1ija n ASP 127 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 1ija n ASP 127 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ija n ASP 128 N 0.00 -7.81 -4.67 1.67 2.03 -1.26 -4.03 116.55 102.48 1ija n ASP 128 Ca 0.00 0.06 -0.42 0.00 0.52 0.00 0.00 54.79 54.95 1ija n ASP 128 Cb 0.00 -5.30 -0.03 0.00 -0.72 0.00 0.00 41.12 35.08 1ija n ASP 128 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1ija s TYR 129 N -2.91 2.10 -0.07 -0.67 6.14 -1.26 -2.41 117.35 118.27 1ija s TYR 129 Ca 0.06 0.18 -0.24 0.00 0.64 0.00 0.00 57.07 57.70 1ija s TYR 129 Cb -0.02 -3.97 -0.03 0.00 0.42 0.00 0.00 41.96 38.36 1ija s TYR 129 CO 0.76 -4.04 0.74 0.54 0.64 0.00 0.00 175.55 174.18 1ija s ASN 130 N 3.05 7.03 0.00 4.32 2.20 -0.35 -4.78 114.94 126.40 1ija s ASN 130 Ca 0.75 1.24 0.20 0.00 -0.94 0.00 0.00 52.86 54.12 1ija s ASN 130 Cb -0.37 -2.43 0.67 0.00 -2.00 0.00 0.00 41.25 37.11 1ija s ASN 130 CO 0.32 -0.15 1.50 -1.84 -2.94 0.00 0.00 177.10 173.99 1ija n GLU 131 N 3.91 1.86 0.14 3.55 0.28 -1.26 -2.52 120.64 126.60 1ija n GLU 131 Ca -0.00 -1.29 -0.06 0.00 -0.16 0.00 0.00 57.16 55.64 1ija n GLU 131 Cb 0.51 -1.40 -0.03 0.00 1.43 0.00 0.00 31.44 31.95 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 2.56 -0.40 -0.02 3.44 1.79 -1.92 -3.35 116.57 118.67 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 0.56 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ija h LYS 132 CO 0.00 -0.27 -0.29 0.25 -1.08 0.00 0.00 179.45 178.06 1ija n THR 133 N -4.37 0.00 -2.54 -0.16 -2.24 -1.26 -4.96 114.28 98.74 1ija n THR 133 Ca -0.05 -0.32 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1ija n THR 133 Cb 0.16 1.20 0.03 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.38 0.25 3.41 3.38 0.00 -1.15 -5.05 105.19 107.41 1ija n GLY 134 Ca 0.11 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.11 0.01 -0.29 1.61 1.01 -1.05 -5.02 120.40 113.56 1ija s VAL 135 Ca 0.04 -1.64 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 1ija s VAL 135 Cb -0.02 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1ija s VAL 135 CO 0.23 -0.03 1.45 0.26 0.00 0.00 0.00 175.10 177.01 1ija s TRP 136 N -4.07 2.41 0.00 5.22 0.52 -1.26 -1.21 118.94 120.54 1ija s TRP 136 Ca 0.28 0.72 0.00 0.00 0.02 0.00 0.00 56.10 57.12 1ija s TRP 136 Cb 0.03 -3.99 0.00 0.00 -1.15 0.00 0.00 33.47 28.36 1ija s TRP 136 CO 0.09 -2.24 0.55 -1.91 0.02 0.00 0.00 176.95 173.47 1ija n GLU 137 N 7.57 0.00 -4.39 4.98 4.07 -1.01 -4.58 120.64 127.28 1ija n GLU 137 Ca 0.17 0.55 -0.29 0.00 -0.06 0.00 0.00 57.16 57.53 1ija n GLU 137 Cb 0.46 -0.94 -0.13 0.00 -0.06 0.00 0.00 31.44 30.77 1ija n GLU 137 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ija s LYS 138 N -1.83 1.40 0.07 5.31 2.20 -1.26 -4.99 119.74 120.65 1ija s LYS 138 Ca 0.00 -1.36 -0.27 0.00 -0.36 0.00 0.00 55.97 53.98 1ija s LYS 138 Cb 0.00 -1.88 0.08 0.00 -1.51 0.00 0.00 37.83 34.52 1ija s LYS 138 CO 0.00 0.44 0.93 -0.98 -0.36 0.00 0.00 175.35 175.38 1ija s ARG 139 N -2.12 1.00 -0.04 4.03 1.70 -1.26 -4.09 118.95 118.16 1ija s ARG 139 Ca 0.14 -0.47 0.03 0.00 -0.47 0.00 0.00 55.73 54.96 1ija s ARG 139 Cb -0.10 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.68 1ija s ARG 139 CO 0.06 -0.45 -0.11 0.15 -1.08 0.00 0.00 175.30 173.88 1ija s LYS 140 N -3.20 1.30 0.10 3.89 1.02 -1.25 -4.95 119.74 116.65 1ija s LYS 140 Ca 0.09 -0.36 -0.08 0.00 0.02 0.00 0.00 55.97 55.63 1ija s LYS 140 Cb -0.01 -1.15 -0.06 0.00 -0.52 0.00 0.00 37.83 36.09 1ija s LYS 140 CO -0.04 0.08 0.39 0.42 -0.92 0.00 0.00 175.35 175.29 1ija s ILE 141 N 0.40 5.12 -0.09 2.17 -1.09 -1.26 -3.04 121.20 123.40 1ija s ILE 141 Ca -0.08 0.33 -0.10 0.00 -2.23 0.00 0.00 60.65 58.58 1ija s ILE 141 Cb -0.12 -3.63 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 1ija s ILE 141 CO 0.02 0.21 0.27 0.12 -1.23 0.00 0.00 174.94 174.33 1ija s PHE 142 N -1.48 -0.27 0.04 3.97 5.36 -1.17 -2.74 117.98 121.69 1ija s PHE 142 Ca 0.35 0.66 0.04 0.00 -0.96 0.00 0.00 56.93 57.02 1ija s PHE 142 Cb -0.13 0.09 -0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1ija s PHE 142 CO 0.20 -0.16 -0.11 0.08 -1.46 0.00 0.00 175.22 173.77 1ija s VAL 143 N 0.00 0.81 -0.01 3.12 1.01 0.19 -2.06 120.40 123.46 1ija s VAL 143 Ca -0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1ija s VAL 143 Cb -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1ija s VAL 143 CO 0.01 -0.15 0.07 0.00 0.00 0.00 0.00 175.10 175.02 1ija s ALA 144 N -1.00 -0.17 0.11 5.51 0.00 -1.09 -2.52 121.76 122.60 1ija s ALA 144 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 51.96 51.99 1ija s ALA 144 Cb -0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 1ija s ALA 144 CO 0.01 -0.11 -0.23 -0.08 0.00 0.00 0.00 175.76 175.35 1ija s THR 145 N -0.64 2.51 0.32 0.00 -1.32 -1.09 -0.69 115.64 114.72 1ija s THR 145 Ca -0.07 -1.57 -0.29 0.00 -1.21 0.00 0.00 61.69 58.54 1ija s THR 145 Cb -0.04 -2.11 -0.11 0.00 -1.51 0.00 0.00 72.50 68.73 1ija s THR 145 CO 0.00 0.15 1.50 -0.70 -2.21 0.00 0.00 174.62 173.37 1ija s GLU 146 N -1.94 4.16 0.40 7.08 2.56 -0.79 -2.93 118.70 127.25 1ija s GLU 146 Ca 0.15 2.50 0.00 0.00 0.00 0.00 0.00 54.97 57.62 1ija s GLU 146 Cb -0.10 -3.02 0.08 0.00 2.00 0.00 0.00 34.13 33.08 1ija s GLU 146 CO 0.07 -0.52 0.55 1.33 -0.56 0.00 0.00 175.26 176.13 1ija n VAL 147 N 1.48 0.00 0.00 3.70 0.24 -1.26 -4.94 118.33 117.56 1ija n VAL 147 Ca 0.05 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1ija n VAL 147 Cb 0.39 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98