#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 1.76 -0.47 0.03 -1.52 -1.26 -5.07 119.66 113.14 1ija s GLN 2 Ca 0.00 -0.58 0.06 0.00 -1.95 0.00 0.00 55.36 52.89 1ija s GLN 2 Cb 0.00 -2.18 0.23 0.00 -0.22 0.00 0.00 33.01 30.84 1ija s GLN 2 CO 0.00 -1.49 0.78 0.00 -0.25 0.00 0.00 175.29 174.33 1ija n ALA 3 N -3.02 -0.60 -3.19 6.09 0.00 -1.26 -5.03 120.51 113.50 1ija n ALA 3 Ca 0.11 -1.79 -0.23 0.00 0.00 0.00 0.00 53.44 51.53 1ija n ALA 3 Cb 0.60 -1.24 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 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 1.79 1.53 0.00 0.00 2.85 -1.26 -4.87 118.16 118.20 1ija n LYS 4 Ca 0.13 -3.80 0.00 0.00 -1.05 0.00 0.00 58.31 53.59 1ija n LYS 4 Cb 0.60 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.26 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 0.69 1.66 -2.14 -1.58 -0.04 -1.26 -4.88 135.00 127.46 1ija n PRO 5 Ca 0.25 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.31 1ija n PRO 5 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.96 1ija n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1ija s GLN 6 N 0.00 3.02 -0.33 0.54 -0.21 -1.26 -4.89 119.66 116.52 1ija s GLN 6 Ca 0.00 0.78 0.03 0.00 0.02 0.00 0.00 55.36 56.19 1ija s GLN 6 Cb 0.00 -4.26 0.16 0.00 1.00 0.00 0.00 33.01 29.91 1ija s GLN 6 CO 0.00 -2.26 0.40 0.42 -2.12 0.00 0.00 175.29 171.72 1ija s ILE 7 N 7.60 -0.50 1.02 1.08 1.01 -1.26 -4.79 121.20 125.35 1ija s ILE 7 Ca 0.66 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 60.51 1ija s ILE 7 Cb -0.15 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.47 1ija s ILE 7 CO 0.25 -0.42 -0.76 -2.65 0.00 0.00 0.00 174.94 171.37 1ija n PRO 8 N 4.81 -0.43 -0.00 2.79 -0.02 -1.26 -4.94 135.00 135.95 1ija n PRO 8 Ca 0.05 -0.11 0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1ija n PRO 8 Cb 0.48 -1.28 -0.04 0.00 -0.02 0.00 0.00 33.50 32.63 1ija n PRO 8 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ija n LYS 9 N 0.86 3.24 -2.41 -0.52 4.01 -1.26 -4.72 118.16 117.36 1ija n LYS 9 Ca -0.00 -0.02 -0.42 0.00 -0.51 0.00 0.00 58.31 57.36 1ija n LYS 9 Cb 0.65 -0.94 -0.03 0.00 -0.51 0.00 0.00 35.03 34.20 1ija n LYS 9 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1ija s ASP 10 N -2.04 6.15 0.07 4.39 1.11 -1.26 -4.82 116.67 120.27 1ija s ASP 10 Ca 0.01 0.25 0.04 0.00 0.18 0.00 0.00 52.55 53.03 1ija s ASP 10 Cb 0.05 -2.55 0.22 0.00 1.07 0.00 0.00 42.92 41.71 1ija s ASP 10 CO 0.29 -1.69 1.04 0.29 1.18 0.00 0.00 175.17 176.28 1ija n LYS 11 N 8.66 0.03 -1.17 8.23 5.02 -1.26 -0.71 118.16 136.96 1ija n LYS 11 Ca 0.12 0.45 -0.21 0.00 -2.02 0.00 0.00 58.31 56.65 1ija n LYS 11 Cb 0.49 -1.68 0.18 0.00 -0.02 0.00 0.00 35.03 33.99 1ija n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1ija n SER 12 N -1.58 3.78 -3.88 4.39 7.64 -1.26 -4.76 113.62 117.95 1ija n SER 12 Ca -0.00 -3.66 -0.11 0.00 1.01 0.00 0.00 58.87 56.11 1ija n SER 12 Cb 0.10 -0.81 -0.12 0.00 -1.01 0.00 0.00 64.21 62.37 1ija n SER 12 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ija s LYS 13 N -3.33 0.18 0.68 1.43 -0.14 0.12 -5.14 119.74 113.53 1ija s LYS 13 Ca 0.55 -0.14 -0.17 0.00 -1.36 0.00 0.00 55.97 54.86 1ija s LYS 13 Cb 0.47 0.07 0.00 0.00 -1.68 0.00 0.00 37.83 36.70 1ija s LYS 13 CO 0.08 -0.03 1.28 0.08 -0.76 0.00 0.00 175.35 176.00 1ija s VAL 14 N -0.48 2.01 0.00 3.17 1.01 -1.26 -4.59 120.40 120.25 1ija s VAL 14 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1ija s VAL 14 Cb -0.03 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1ija s VAL 14 CO 0.00 -0.00 0.48 0.00 0.00 0.00 0.00 175.10 175.58 1ija n ALA 15 N -2.14 1.20 0.00 5.51 0.00 -1.18 -4.78 120.51 119.12 1ija n ALA 15 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ija n ALA 15 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.86 1ija n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ija n GLY 16 N 0.00 1.51 3.18 0.00 0.00 -1.25 -4.72 105.19 103.90 1ija n GLY 16 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 1ija n GLY 16 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ija s TYR 17 N -2.00 -0.69 -0.08 1.61 2.02 0.28 -2.90 117.35 115.59 1ija s TYR 17 Ca 0.00 1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 57.96 1ija s TYR 17 Cb 0.00 0.19 -0.04 0.00 -0.40 0.00 0.00 41.96 41.71 1ija s TYR 17 CO 0.00 -0.45 0.19 -1.50 -1.57 0.00 0.00 175.55 172.21 1ija s ILE 18 N 2.55 5.43 -0.09 2.71 2.07 -0.86 0.11 121.20 133.12 1ija s ILE 18 Ca -0.00 0.23 -0.07 0.00 -1.41 0.00 0.00 60.65 59.40 1ija s ILE 18 Cb -0.12 -3.47 0.03 0.00 0.13 0.00 0.00 42.46 39.03 1ija s ILE 18 CO -0.12 0.55 0.23 -1.61 -1.91 0.00 0.00 174.94 172.09 1ija s GLU 19 N -1.22 0.24 -0.08 3.50 2.02 -0.99 -2.54 118.70 119.62 1ija s GLU 19 Ca 0.19 0.39 -0.03 0.00 0.02 0.00 0.00 54.97 55.53 1ija s GLU 19 Cb -0.13 0.03 0.04 0.00 0.10 0.00 0.00 34.13 34.18 1ija s GLU 19 CO 0.08 -0.08 0.17 0.42 0.02 0.00 0.00 175.26 175.87 1ija s ILE 20 N 0.54 -0.15 0.06 -1.63 1.01 -1.01 -2.27 121.20 117.75 1ija s ILE 20 Ca -0.03 0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.71 1ija s ILE 20 Cb -0.05 -0.29 -0.21 0.00 0.01 0.00 0.00 42.46 41.92 1ija s ILE 20 CO -0.03 0.10 1.20 1.55 0.00 0.00 0.00 174.94 177.76 1ija h PRO 21 N 7.72 0.65 0.00 2.79 0.13 -1.86 0.54 132.00 141.95 1ija h PRO 21 Ca -0.30 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 1ija h PRO 21 Cb 1.13 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ija h PRO 21 CO 0.30 1.24 0.34 -0.44 -0.23 0.00 0.00 178.00 179.20 1ija h ASP 22 N 0.29 0.00 0.00 1.44 5.19 -1.97 0.28 116.42 121.66 1ija h ASP 22 Ca -0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 1ija h ASP 22 Cb 1.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.01 1ija h ASP 22 CO 0.17 0.00 -0.24 0.00 -3.12 0.00 0.00 179.24 176.05 1ija n ALA 23 N -1.58 1.61 -4.11 3.45 0.00 -1.15 -4.00 120.51 114.73 1ija n ALA 23 Ca -0.01 -0.90 -0.28 0.00 0.00 0.00 0.00 53.44 52.26 1ija n ALA 23 Cb 0.36 -0.27 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.11 0.19 -4.85 0.00 5.75 0.17 -4.48 116.55 113.22 1ija n ASP 24 Ca 0.01 -1.13 -0.36 0.00 -0.01 0.00 0.00 54.79 53.30 1ija n ASP 24 Cb 0.59 -2.40 -0.06 0.00 -1.03 0.00 0.00 41.12 38.23 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 -4.14 4.97 -0.40 2.12 -1.09 0.16 -4.82 121.20 118.00 1ija s ILE 25 Ca 0.01 0.70 -0.02 0.00 -2.23 0.00 0.00 60.65 59.11 1ija s ILE 25 Cb -0.00 -3.70 0.20 0.00 -1.58 0.00 0.00 42.46 37.37 1ija s ILE 25 CO 0.94 0.33 0.93 -1.59 -1.23 0.00 0.00 174.94 174.32 1ija s LYS 26 N -1.76 0.52 0.01 2.79 -2.85 -1.24 -2.40 119.74 114.80 1ija s LYS 26 Ca 0.33 -0.44 -0.04 0.00 -1.00 0.00 0.00 55.97 54.82 1ija s LYS 26 Cb -0.15 -0.00 -0.01 0.00 -2.06 0.00 0.00 37.83 35.61 1ija s LYS 26 CO 0.18 -0.67 0.07 -1.21 0.10 0.00 0.00 175.35 173.81 1ija s GLU 27 N 1.20 0.42 0.59 1.78 0.41 -1.05 -4.97 118.70 117.08 1ija s GLU 27 Ca 0.23 -0.51 -0.05 0.00 -0.41 0.00 0.00 54.97 54.23 1ija s GLU 27 Cb 0.06 0.17 0.01 0.00 -1.78 0.00 0.00 34.13 32.58 1ija s GLU 27 CO -0.09 -0.09 0.89 -1.25 -0.49 0.00 0.00 175.26 174.23 1ija s PRO 28 N -1.50 2.89 -0.12 0.39 0.04 -1.26 -2.04 135.00 133.41 1ija s PRO 28 Ca -0.15 -0.06 0.01 0.00 0.04 0.00 0.00 61.00 60.84 1ija s PRO 28 Cb -0.08 -2.29 0.02 0.00 0.04 0.00 0.00 34.50 32.19 1ija s PRO 28 CO 0.00 -0.69 -0.12 0.08 0.04 0.00 0.00 177.00 176.31 1ija s VAL 29 N -2.97 1.31 0.39 -0.36 1.01 -1.14 -3.33 120.40 115.31 1ija s VAL 29 Ca 0.54 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.84 1ija s VAL 29 Cb -0.10 -1.25 -0.10 0.00 0.00 0.00 0.00 36.38 34.93 1ija s VAL 29 CO 0.45 0.41 0.86 -0.31 0.00 0.00 0.00 175.10 176.50 1ija s TYR 30 N 1.36 3.35 -0.70 5.22 2.02 -0.82 -3.08 117.35 124.70 1ija s TYR 30 Ca 0.00 1.42 -0.27 0.00 -0.37 0.00 0.00 57.07 57.86 1ija s TYR 30 Cb -0.13 -2.70 0.01 0.00 -0.40 0.00 0.00 41.96 38.74 1ija s TYR 30 CO -0.06 -0.04 1.46 -1.25 -1.57 0.00 0.00 175.55 174.09 1ija s PRO 31 N -3.16 3.02 0.00 -1.71 0.04 -1.26 -3.02 135.00 128.90 1ija s PRO 31 Ca 0.58 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.65 1ija s PRO 31 Cb -0.10 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.20 1ija s PRO 31 CO 0.16 -2.33 0.00 0.41 0.04 0.00 0.00 177.00 175.29 1ija n GLY 32 N 5.48 -0.84 3.65 0.56 0.00 -1.26 -4.56 105.19 108.22 1ija n GLY 32 Ca 0.08 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.00 4.16 -0.85 1.61 0.04 -1.26 -3.43 135.00 133.28 1ija s PRO 33 Ca 0.00 1.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.43 1ija s PRO 33 Cb 0.00 -3.76 -0.27 0.00 0.04 0.00 0.00 34.50 30.50 1ija s PRO 33 CO 0.00 -0.79 2.03 0.00 0.04 0.00 0.00 177.00 178.28 1ija n ALA 34 N 6.78 0.95 -2.57 8.56 0.00 -0.62 -4.85 120.51 128.76 1ija n ALA 34 Ca 0.14 -0.93 -0.28 0.00 0.00 0.00 0.00 53.44 52.37 1ija n ALA 34 Cb 0.46 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 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 1.91 3.28 0.16 0.00 -4.23 -1.26 -5.01 115.64 110.49 1ija s THR 35 Ca 1.10 -1.48 -0.10 0.00 -1.18 0.00 0.00 61.69 60.03 1ija s THR 35 Cb -0.65 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 70.63 1ija s THR 35 CO 0.44 -0.01 1.58 1.55 -0.54 0.00 0.00 174.62 177.63 1ija h PRO 36 N 3.21 1.02 0.00 3.99 0.13 -1.97 0.51 132.00 138.89 1ija h PRO 36 Ca -0.48 -0.39 -0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1ija h PRO 36 Cb 1.19 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ija h PRO 36 CO 0.53 1.08 -0.00 1.05 -0.23 0.00 0.00 178.00 180.43 1ija h GLU 37 N 0.89 0.00 0.00 0.86 -0.00 -1.97 -2.19 114.58 112.16 1ija h GLU 37 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.49 1ija h GLU 37 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.46 1ija h GLU 37 CO 0.05 0.00 -0.50 0.94 -0.00 0.00 0.00 179.01 179.51 1ija n GLN 38 N -3.09 0.31 0.17 1.06 -0.06 -0.97 -4.22 117.38 110.58 1ija n GLN 38 Ca -0.02 0.25 0.03 0.00 -2.00 0.00 0.00 57.00 55.25 1ija n GLN 38 Cb 0.12 -1.18 0.16 0.00 -4.06 0.00 0.00 30.24 25.28 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 -0.62 0.00 -2.17 1.69 3.38 -0.91 0.90 115.31 117.58 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 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ija h LEU 39 CO 0.00 0.00 -0.07 0.78 0.09 0.00 0.00 178.44 179.24 1ija h ASN 40 N 0.00 0.00 0.71 -0.43 2.35 -1.56 0.24 115.58 116.89 1ija h ASN 40 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ija h ASN 40 Cb 1.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1ija h ASN 40 CO 0.00 0.07 -0.49 0.54 -1.65 0.00 0.00 177.43 175.90 1ija n ARG 41 N -3.75 0.12 0.00 0.81 1.74 0.31 -5.03 116.66 110.86 1ija n ARG 41 Ca -0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1ija n ARG 41 Cb 0.16 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 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 1.43 -0.30 3.94 -0.13 0.00 0.84 -5.07 105.19 105.89 1ija n GLY 42 Ca 0.05 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1ija n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ija s VAL 43 N -2.37 5.00 0.02 1.61 1.01 -1.21 -4.29 120.40 120.15 1ija s VAL 43 Ca 0.00 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1ija s VAL 43 Cb 0.00 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1ija s VAL 43 CO 0.00 -0.32 0.36 -0.55 0.00 0.00 0.00 175.10 174.59 1ija s SER 44 N -3.97 -0.23 1.14 3.32 0.15 -1.12 -1.94 113.70 111.05 1ija s SER 44 Ca 0.35 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 1ija s SER 44 Cb -0.09 0.37 0.27 0.00 -1.71 0.00 0.00 66.02 64.87 1ija s SER 44 CO 0.28 -0.57 1.04 -0.36 1.20 0.00 0.00 173.24 174.84 1ija s PHE 45 N -1.98 1.32 -1.18 3.44 0.08 -1.17 -1.72 117.98 116.77 1ija s PHE 45 Ca -0.09 1.29 0.29 0.00 0.12 0.00 0.00 56.93 58.54 1ija s PHE 45 Cb -0.02 -3.13 1.19 0.00 -0.57 0.00 0.00 43.02 40.49 1ija s PHE 45 CO 0.01 -3.82 1.87 0.00 -0.10 0.00 0.00 175.22 173.18 1ija n ALA 46 N -4.89 2.61 -3.29 5.36 0.00 0.34 -1.59 120.51 119.04 1ija n ALA 46 Ca 0.04 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 1ija n ALA 46 Cb 0.54 -1.40 -0.08 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 -2.84 0.82 0.32 0.00 2.02 -1.26 -3.96 118.70 113.80 1ija s GLU 47 Ca 0.19 -0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.08 1ija s GLU 47 Cb 0.19 0.37 0.55 0.00 0.10 0.00 0.00 34.13 35.34 1ija s GLU 47 CO 0.53 -0.25 1.90 1.05 0.02 0.00 0.00 175.26 178.51 1ija h GLU 48 N 3.48 0.71 -0.64 1.61 4.11 -1.88 -2.30 114.58 119.67 1ija h GLU 48 Ca -0.29 -0.12 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1ija h GLU 48 Cb 1.17 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ija h GLU 48 CO 0.41 0.62 0.00 -1.71 0.07 0.00 0.00 179.01 178.39 1ija n ASN 49 N -4.32 2.59 -4.55 3.06 4.05 -1.26 -4.45 115.26 110.38 1ija n ASN 49 Ca 0.04 -2.26 -0.34 0.00 0.45 0.00 0.00 54.58 52.47 1ija n ASN 49 Cb 0.18 -0.45 -0.04 0.00 1.23 0.00 0.00 39.78 40.70 1ija n ASN 49 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1ija s GLU 50 N -1.70 2.20 -0.01 1.20 -6.30 -0.86 -4.93 118.70 108.31 1ija s GLU 50 Ca 0.23 1.01 -0.11 0.00 -2.50 0.00 0.00 54.97 53.60 1ija s GLU 50 Cb 0.16 -4.58 -0.05 0.00 0.00 0.00 0.00 34.13 29.66 1ija s GLU 50 CO 0.10 -3.27 0.33 -1.54 0.02 0.00 0.00 175.26 170.90 1ija s SER 51 N 10.77 6.65 0.00 -1.70 1.04 -1.26 -4.92 113.70 124.28 1ija s SER 51 Ca 0.87 0.77 0.02 0.00 0.48 0.00 0.00 55.95 58.10 1ija s SER 51 Cb -0.15 -2.18 0.10 0.00 0.10 0.00 0.00 66.02 63.89 1ija s SER 51 CO 0.21 0.30 0.77 0.00 0.98 0.00 0.00 173.24 175.50 1ija n LEU 52 N 1.56 0.00 0.07 2.42 -0.00 -1.26 -0.14 117.00 119.64 1ija n LEU 52 Ca -0.13 0.19 0.11 0.00 -0.00 0.00 0.00 56.01 56.18 1ija n LEU 52 Cb 0.53 -0.19 0.02 0.00 -0.00 0.00 0.00 43.42 43.79 1ija n LEU 52 CO 0.38 -0.18 0.01 0.47 -0.00 0.00 0.00 177.39 178.07 1ija n ASP 53 N -1.19 0.69 -4.64 1.45 9.92 -1.26 -4.86 116.55 116.66 1ija n ASP 53 Ca 0.01 0.13 -0.42 0.00 -0.53 0.00 0.00 54.79 53.98 1ija n ASP 53 Cb 0.01 0.61 -0.03 0.00 -0.64 0.00 0.00 41.12 41.07 1ija n ASP 53 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 1ija s ASP 54 N -4.72 6.16 0.38 -2.24 -4.77 0.80 -4.75 116.67 107.53 1ija s ASP 54 Ca 0.01 2.41 0.07 0.00 -3.30 0.00 0.00 52.55 51.74 1ija s ASP 54 Cb 0.12 -2.52 0.40 0.00 -1.09 0.00 0.00 42.92 39.82 1ija s ASP 54 CO 0.79 -1.32 1.07 0.06 0.70 0.00 0.00 175.17 176.47 1ija h GLN 55 N 11.87 0.00 -3.69 2.11 3.07 -1.89 -3.28 115.11 123.30 1ija h GLN 55 Ca -0.46 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.73 1ija h GLN 55 Cb 1.23 0.00 -0.40 0.00 0.08 0.00 0.00 27.48 28.40 1ija h GLN 55 CO 0.95 0.00 -0.77 1.21 0.09 0.00 0.00 178.83 180.31 1ija s ASN 56 N -3.04 3.24 -0.31 0.06 2.47 -1.26 -2.37 114.94 113.73 1ija s ASN 56 Ca -0.01 -1.00 -0.13 0.00 0.42 0.00 0.00 52.86 52.14 1ija s ASN 56 Cb 0.02 -0.74 -0.03 0.00 -1.45 0.00 0.00 41.25 39.05 1ija s ASN 56 CO 0.07 -0.31 0.28 -0.63 -3.72 0.00 0.00 177.10 172.78 1ija s ILE 57 N 1.74 5.25 -0.29 -5.21 1.01 -1.15 -4.96 121.20 117.58 1ija s ILE 57 Ca -0.00 0.09 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 1ija s ILE 57 Cb -0.17 -3.68 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1ija s ILE 57 CO -0.10 0.08 0.08 -0.94 0.00 0.00 0.00 174.94 174.05 1ija s SER 58 N 1.72 5.12 0.37 3.58 1.04 -1.25 0.81 113.70 125.11 1ija s SER 58 Ca 0.09 -0.72 0.08 0.00 0.48 0.00 0.00 55.95 55.88 1ija s SER 58 Cb -0.16 -1.88 -0.02 0.00 0.10 0.00 0.00 66.02 64.06 1ija s SER 58 CO 0.11 -0.19 0.36 -0.63 0.98 0.00 0.00 173.24 173.87 1ija s ILE 59 N 1.50 3.18 -0.05 -1.02 1.01 0.02 0.13 121.20 125.96 1ija s ILE 59 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1ija s ILE 59 Cb -0.17 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.21 1ija s ILE 59 CO 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 174.94 174.85 1ija s ALA 60 N -2.37 0.65 0.03 9.38 0.00 -0.70 0.19 121.76 128.94 1ija s ALA 60 Ca 0.45 -0.06 -0.03 0.00 0.00 0.00 0.00 51.96 52.33 1ija s ALA 60 Cb -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1ija s ALA 60 CO 0.28 -0.16 0.03 0.20 0.00 0.00 0.00 175.76 176.11 1ija s GLY 61 N 1.25 0.22 0.05 0.00 0.00 -0.02 -2.79 107.32 106.03 1ija s GLY 61 Ca -0.06 -0.60 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1ija s GLY 61 CO -0.02 -0.70 0.05 1.42 0.00 0.00 0.00 173.10 173.85 1ija n HIS 62 N 1.11 -3.32 -2.71 1.90 8.25 -1.26 0.42 115.22 119.62 1ija n HIS 62 Ca -0.21 -0.05 -0.06 0.00 -0.26 0.00 0.00 57.72 57.14 1ija n HIS 62 Cb 0.57 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.46 0.00 -2.96 1.59 5.66 -1.26 -0.50 114.28 114.35 1ija n THR 63 Ca 0.01 -0.99 -0.42 0.00 -3.05 0.00 0.00 64.05 59.59 1ija n THR 63 Cb 0.03 1.20 -0.05 0.00 -1.55 0.00 0.00 70.33 69.95 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 0.52 3.11 0.41 1.09 0.40 -1.26 -4.82 117.98 117.43 1ija s PHE 64 Ca 0.29 0.52 0.36 0.00 -0.60 0.00 0.00 56.93 57.50 1ija s PHE 64 Cb 0.19 -3.41 1.95 0.00 0.51 0.00 0.00 43.02 42.26 1ija s PHE 64 CO -0.15 -0.75 2.09 0.82 0.70 0.00 0.00 175.22 177.94 1ija h ILE 65 N 5.77 0.00 -0.18 0.64 1.08 -1.98 0.15 117.51 122.99 1ija h ILE 65 Ca -0.25 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1ija h ILE 65 Cb 1.09 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 35.64 1ija h ILE 65 CO 0.91 0.00 0.00 -0.67 -0.69 0.00 0.00 178.15 177.70 1ija n ASP 66 N -2.80 1.51 -2.98 1.72 2.03 -1.26 -4.20 116.55 110.57 1ija n ASP 66 Ca -0.02 -2.10 -0.14 0.00 0.52 0.00 0.00 54.79 53.05 1ija n ASP 66 Cb 0.11 -0.29 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 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 0.59 0.00 -0.67 1.74 0.52 -5.00 116.66 113.95 1ija n ARG 67 Ca 0.07 -2.44 0.00 0.00 -0.77 0.00 0.00 57.85 54.71 1ija n ARG 67 Cb 0.29 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 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 2.13 0.00 -2.95 5.56 -0.02 -1.26 -2.54 135.00 135.92 1ija n PRO 68 Ca 0.18 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.52 1ija n PRO 68 Cb 0.56 -0.90 0.02 0.00 -0.02 0.00 0.00 33.50 33.16 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 -0.03 -0.99 -3.35 2.55 2.04 -1.26 -4.40 115.26 109.82 1ija n ASN 69 Ca 0.00 -3.30 -0.13 0.00 -0.44 0.00 0.00 54.58 50.71 1ija n ASN 69 Cb 0.00 0.72 -0.08 0.00 -2.53 0.00 0.00 39.78 37.89 1ija n ASN 69 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1ija s TYR 70 N -0.82 -0.74 0.00 -2.53 5.04 -1.05 -4.99 117.35 112.27 1ija s TYR 70 Ca 0.31 0.06 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1ija s TYR 70 Cb 0.29 -0.31 0.00 0.00 0.35 0.00 0.00 41.96 42.29 1ija s TYR 70 CO -0.09 -0.96 0.00 1.04 -1.34 0.00 0.00 175.55 174.20 1ija n GLN 71 N 5.31 0.00 -0.99 4.97 6.02 -1.26 -2.51 117.38 128.92 1ija n GLN 71 Ca -0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 1ija n GLN 71 Cb 0.48 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.79 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 13.89 2.01 -0.03 1.08 7.35 0.35 -4.46 117.46 137.65 1ija n PHE 72 Ca 0.00 -2.17 -0.00 0.00 -0.76 0.00 0.00 57.45 54.52 1ija n PHE 72 Cb 0.00 -1.05 -0.00 0.00 0.35 0.00 0.00 39.48 38.78 1ija n PHE 72 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 1ija h THR 73 N 0.96 0.00 0.00 -2.13 2.02 -1.51 -3.40 112.91 108.85 1ija h THR 73 Ca 0.38 -0.48 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 1ija h THR 73 Cb 1.03 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1ija h THR 73 CO 0.96 0.00 -0.57 -1.13 0.37 0.00 0.00 175.52 175.15 1ija h ASN 74 N -0.48 0.00 0.00 4.18 -0.73 -1.79 -3.22 115.58 113.54 1ija h ASN 74 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1ija h ASN 74 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1ija h ASN 74 CO 0.00 0.47 0.04 -0.11 -0.37 0.00 0.00 177.43 177.46 1ija n LEU 75 N -3.18 0.00 0.12 0.34 7.94 -1.26 0.19 117.00 121.15 1ija n LEU 75 Ca 0.01 0.15 0.09 0.00 -1.11 0.00 0.00 56.01 55.15 1ija n LEU 75 Cb 0.73 -0.15 0.02 0.00 0.53 0.00 0.00 43.42 44.55 1ija n LEU 75 CO 0.40 -0.15 0.17 0.11 -1.11 0.00 0.00 177.39 176.81 1ija h LYS 76 N 0.00 0.00 0.18 1.96 1.57 -1.76 -3.31 116.57 115.20 1ija h LYS 76 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1ija h LYS 76 Cb 0.08 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.41 1ija h LYS 76 CO 0.00 0.10 -1.39 0.00 -0.57 0.00 0.00 179.45 177.58 1ija h ALA 77 N 1.85 0.02 -1.30 3.86 0.00 0.18 -3.46 119.26 120.42 1ija h ALA 77 Ca -0.03 -0.92 -0.43 0.00 0.00 0.00 0.00 54.91 53.53 1ija h ALA 77 Cb 1.14 0.13 0.23 0.00 0.00 0.00 0.00 17.79 19.28 1ija h ALA 77 CO 0.01 0.89 -1.79 0.00 0.00 0.00 0.00 179.25 178.36 1ija n ALA 78 N -2.63 -4.30 -2.57 0.00 0.00 -1.18 -4.99 120.51 104.84 1ija n ALA 78 Ca -0.13 -1.27 -0.13 0.00 0.00 0.00 0.00 53.44 51.91 1ija n ALA 78 Cb 1.06 -1.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.67 1.49 0.71 0.00 1.02 -1.26 -5.07 119.74 113.96 1ija s LYS 79 Ca 0.42 -1.62 -0.17 0.00 0.02 0.00 0.00 55.97 54.62 1ija s LYS 79 Cb 0.00 0.36 -0.06 0.00 -0.52 0.00 0.00 37.83 37.61 1ija s LYS 79 CO 0.60 -0.56 0.37 1.63 -0.92 0.00 0.00 175.35 176.47 1ija n LYS 80 N -0.40 0.26 0.00 1.68 5.02 -1.26 -1.28 118.16 122.18 1ija n LYS 80 Ca 0.02 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1ija n LYS 80 Cb 0.64 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 1.87 2.91 3.55 0.72 0.00 0.15 -4.93 105.19 109.47 1ija n GLY 81 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.60 4.56 1.19 1.61 0.15 -0.40 -4.50 113.70 114.70 1ija s SER 82 Ca 0.00 0.66 -0.17 0.00 0.70 0.00 0.00 55.95 57.14 1ija s SER 82 Cb 0.00 -2.52 0.22 0.00 -1.71 0.00 0.00 66.02 62.01 1ija s SER 82 CO 0.00 -2.93 0.50 0.23 1.20 0.00 0.00 173.24 172.24 1ija n MET 83 N 9.01 -2.44 -3.58 5.44 2.81 -1.26 -2.93 117.12 124.16 1ija n MET 83 Ca 0.35 -0.70 -0.19 0.00 -1.81 0.00 0.00 57.70 55.35 1ija n MET 83 Cb 0.52 -1.88 -0.15 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.26 -0.26 -0.54 2.03 1.01 -1.09 -4.79 120.40 114.50 1ija s VAL 84 Ca 0.61 0.06 -0.19 0.00 0.00 0.00 0.00 61.98 62.46 1ija s VAL 84 Cb -0.17 -0.51 0.08 0.00 0.00 0.00 0.00 36.38 35.79 1ija s VAL 84 CO 0.63 -0.08 0.64 -0.31 0.00 0.00 0.00 175.10 175.98 1ija s TYR 85 N 2.28 3.04 -0.39 5.22 1.51 -0.96 -2.42 117.35 125.63 1ija s TYR 85 Ca 0.04 -0.77 -0.16 0.00 -1.01 0.00 0.00 57.07 55.18 1ija s TYR 85 Cb -0.14 -3.74 0.01 0.00 -0.11 0.00 0.00 41.96 37.98 1ija s TYR 85 CO -0.09 -1.14 0.38 0.12 -1.11 0.00 0.00 175.55 173.71 1ija s PHE 86 N 2.57 3.20 -0.04 2.71 5.36 -1.09 -2.34 117.98 128.35 1ija s PHE 86 Ca 0.13 -0.29 -0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1ija s PHE 86 Cb -0.22 -2.75 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 1ija s PHE 86 CO 0.09 -0.58 0.16 0.21 -1.46 0.00 0.00 175.22 173.64 1ija s LYS 87 N 2.01 3.42 -0.28 10.12 2.20 0.12 -2.21 119.74 135.11 1ija s LYS 87 Ca 0.11 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.19 1ija s LYS 87 Cb -0.17 -3.11 0.13 0.00 -1.51 0.00 0.00 37.83 33.17 1ija s LYS 87 CO 0.12 0.70 1.10 0.54 -0.36 0.00 0.00 175.35 177.46 1ija s VAL 88 N -1.23 0.00 0.00 4.02 0.11 -1.15 0.10 120.40 122.25 1ija s VAL 88 Ca 0.23 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.28 1ija s VAL 88 Cb -0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 1ija s VAL 88 CO 0.14 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1ija n GLY 89 N 2.10 1.55 2.68 6.54 0.00 -1.26 -2.70 105.19 114.10 1ija n GLY 89 Ca -0.12 0.28 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ija n GLY 89 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ija n ASN 90 N 11.48 1.88 -3.63 1.61 2.85 -1.26 -5.07 115.26 123.11 1ija n ASN 90 Ca 0.00 -2.58 -0.11 0.00 -0.11 0.00 0.00 54.58 51.78 1ija n ASN 90 Cb 0.00 -0.50 -0.07 0.00 1.24 0.00 0.00 39.78 40.45 1ija n ASN 90 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ija s GLU 91 N -3.42 0.67 -0.16 1.20 -6.30 -1.10 -5.15 118.70 104.44 1ija s GLU 91 Ca 0.30 0.84 -0.01 0.00 -2.50 0.00 0.00 54.97 53.60 1ija s GLU 91 Cb 0.40 0.31 -0.00 0.00 0.00 0.00 0.00 34.13 34.84 1ija s GLU 91 CO -0.00 -0.09 -0.13 0.99 0.02 0.00 0.00 175.26 176.05 1ija s THR 92 N 0.45 2.86 0.46 -1.70 2.01 -1.26 -2.92 115.64 115.55 1ija s THR 92 Ca 0.00 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1ija s THR 92 Cb -0.05 -2.23 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1ija s THR 92 CO -0.04 0.50 0.63 0.00 -0.69 0.00 0.00 174.62 175.02 1ija s ARG 93 N 0.86 2.68 0.02 4.92 3.03 -0.94 -4.95 118.95 124.56 1ija s ARG 93 Ca -0.04 -1.36 -0.02 0.00 2.03 0.00 0.00 55.73 56.35 1ija s ARG 93 Cb -0.15 -2.73 -0.01 0.00 -1.03 0.00 0.00 34.95 31.03 1ija s ARG 93 CO -0.00 -0.44 0.02 -1.59 -1.13 0.00 0.00 175.30 172.16 1ija s LYS 94 N -4.44 0.37 0.34 3.89 -2.85 -1.26 -2.68 119.74 113.11 1ija s LYS 94 Ca 0.57 -0.56 0.07 0.00 -1.00 0.00 0.00 55.97 55.05 1ija s LYS 94 Cb -0.09 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.79 1ija s LYS 94 CO 0.35 -0.07 0.27 0.71 0.10 0.00 0.00 175.35 176.70 1ija s TYR 95 N -1.49 1.77 -0.22 1.78 1.51 -1.02 -4.77 117.35 114.91 1ija s TYR 95 Ca -0.15 -1.64 -0.03 0.00 -1.01 0.00 0.00 57.07 54.24 1ija s TYR 95 Cb -0.09 -0.77 0.07 0.00 -0.11 0.00 0.00 41.96 41.06 1ija s TYR 95 CO -0.00 -0.82 0.05 0.21 -1.11 0.00 0.00 175.55 173.88 1ija s LYS 96 N -3.46 0.60 0.06 -0.62 2.20 -1.17 -2.67 119.74 114.68 1ija s LYS 96 Ca 0.39 -0.50 -0.36 0.00 -0.36 0.00 0.00 55.97 55.13 1ija s LYS 96 Cb 0.02 -2.01 -0.16 0.00 -1.51 0.00 0.00 37.83 34.17 1ija s LYS 96 CO 0.27 -0.72 1.43 -0.12 -0.36 0.00 0.00 175.35 175.85 1ija n MET 97 N 5.05 1.35 0.00 4.03 0.00 -1.15 -3.13 117.12 123.27 1ija n MET 97 Ca -0.08 0.49 0.00 0.00 -0.00 0.00 0.00 57.70 58.11 1ija n MET 97 Cb 0.46 -2.16 0.00 0.00 0.00 0.00 0.00 33.22 31.52 1ija n MET 97 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1ija n THR 98 N 2.94 0.00 -3.67 1.12 -1.04 -1.26 0.31 114.28 112.67 1ija n THR 98 Ca 0.19 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.09 1ija n THR 98 Cb 0.20 0.06 -0.12 0.00 -1.82 0.00 0.00 70.33 68.66 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 -0.02 0.04 8.00 0.15 -1.07 -5.03 113.70 115.77 1ija s SER 99 Ca 0.00 0.75 -0.01 0.00 0.70 0.00 0.00 55.95 57.40 1ija s SER 99 Cb 0.00 0.89 -0.03 0.00 -1.71 0.00 0.00 66.02 65.17 1ija s SER 99 CO 0.00 -0.22 -0.02 -0.63 1.20 0.00 0.00 173.24 173.56 1ija s ILE 100 N 2.24 0.18 0.00 6.45 1.01 -1.26 -1.43 121.20 128.39 1ija s ILE 100 Ca -0.02 -1.44 0.00 0.00 0.00 0.00 0.00 60.65 59.18 1ija s ILE 100 Cb -0.11 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.33 1ija s ILE 100 CO -0.10 -0.80 0.00 0.54 0.00 0.00 0.00 174.94 174.58 1ija n ARG 101 N 0.68 0.00 -3.64 2.79 1.74 -1.14 -4.95 116.66 112.14 1ija n ARG 101 Ca -0.18 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.65 1ija n ARG 101 Cb 0.59 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.98 1ija n ARG 101 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ija n ASP 102 N 0.00 -1.45 0.00 0.55 5.68 -1.00 -4.63 116.55 115.70 1ija n ASP 102 Ca 0.00 -0.51 0.00 0.00 -0.50 0.00 0.00 54.79 53.78 1ija n ASP 102 Cb 0.00 -1.32 0.00 0.00 -1.14 0.00 0.00 41.12 38.66 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 -3.34 0.00 -2.81 2.12 0.31 -1.26 -4.97 118.33 108.38 1ija n VAL 103 Ca 0.07 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 1ija n VAL 103 Cb 0.46 -0.02 0.01 0.00 -0.91 0.00 0.00 33.84 33.38 1ija n VAL 103 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1ija n LYS 104 N -0.65 1.09 0.00 5.55 4.76 -1.26 -5.11 118.16 122.54 1ija n LYS 104 Ca 0.00 -3.29 0.00 0.00 -2.87 0.00 0.00 58.31 52.15 1ija n LYS 104 Cb 0.00 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1ija n LYS 104 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1ija n PRO 105 N 0.03 -0.33 -0.00 1.97 -0.04 -1.26 -4.99 135.00 130.39 1ija n PRO 105 Ca 0.13 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.68 1ija n PRO 105 Cb 0.78 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.12 1ija n PRO 105 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ija n THR 106 N -1.91 0.00 0.00 0.52 -2.24 -1.26 -4.95 114.28 104.44 1ija n THR 106 Ca 0.00 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1ija n THR 106 Cb 0.00 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 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 -1.68 0.00 -0.80 3.42 2.03 -1.26 -4.48 116.55 113.79 1ija n ASP 107 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1ija n ASP 107 Cb 0.35 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.00 0.50 -0.76 5.18 0.24 -1.26 -2.53 118.33 119.70 1ija n VAL 108 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ija n VAL 108 Cb 0.00 -0.72 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 1ija n VAL 108 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ija n GLY 109 N 0.37 -0.95 0.23 7.63 0.00 -1.26 -4.69 105.19 106.52 1ija n GLY 109 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 1.81 1.28 -2.03 1.61 2.07 -1.88 -3.34 116.25 115.78 1ija h VAL 110 Ca 0.00 -1.39 -0.50 0.00 0.82 0.00 0.00 66.70 65.63 1ija h VAL 110 Cb 0.73 1.42 -0.40 0.00 -1.52 0.00 0.00 31.29 31.51 1ija h VAL 110 CO 0.00 0.44 -1.14 0.18 0.02 0.00 0.00 177.57 177.07 1ija n LEU 111 N -4.08 1.09 0.00 2.57 4.77 -1.26 -4.73 117.00 115.35 1ija n LEU 111 Ca -0.01 -5.03 0.00 0.00 -0.03 0.00 0.00 56.01 50.94 1ija n LEU 111 Cb 0.45 0.59 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1ija n LEU 111 CO 0.43 2.27 0.00 -0.67 -1.33 0.00 0.00 177.39 178.09 1ija n ASP 112 N 0.37 0.00 -0.35 -1.43 2.03 -1.25 -4.98 116.55 110.93 1ija n ASP 112 Ca 0.25 -0.44 -0.00 0.00 0.52 0.00 0.00 54.79 55.12 1ija n ASP 112 Cb 0.62 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1ija n ASP 112 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ija n GLU 113 N 0.00 0.00 -0.31 -0.67 0.28 -1.26 -4.96 120.64 113.73 1ija n GLU 113 Ca 0.00 -0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.10 1ija n GLU 113 Cb 0.16 0.35 0.27 0.00 1.43 0.00 0.00 31.44 33.65 1ija n GLU 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ija n GLN 114 N 0.00 2.72 0.31 3.44 0.00 -1.25 -4.36 117.38 118.23 1ija n GLN 114 Ca -0.00 -2.47 0.20 0.00 0.00 0.00 0.00 57.00 54.73 1ija n GLN 114 Cb 0.18 -1.49 1.06 0.00 0.00 0.00 0.00 30.24 29.99 1ija n GLN 114 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1ija h LYS 115 N 3.73 0.00 0.00 2.61 2.10 -1.92 -3.45 116.57 119.64 1ija h LYS 115 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ija h LYS 115 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1ija h LYS 115 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1ija n GLY 116 N -1.14 0.96 0.02 0.07 0.00 -1.26 -3.90 105.19 99.94 1ija n GLY 116 Ca -0.03 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 -4.49 1.61 4.76 -1.26 -5.14 118.16 113.64 1ija n LYS 117 Ca 0.00 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 1ija n LYS 117 Cb 0.00 -0.25 -0.10 0.00 -1.84 0.00 0.00 35.03 32.84 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 -2.02 3.95 0.88 4.39 1.01 -1.25 -5.10 116.67 118.52 1ija s ASP 118 Ca 0.00 -1.21 -0.15 0.00 0.71 0.00 0.00 52.55 51.89 1ija s ASP 118 Cb 0.00 -0.42 -0.06 0.00 1.01 0.00 0.00 42.92 43.46 1ija s ASP 118 CO 0.00 -0.34 -0.01 1.17 0.21 0.00 0.00 175.17 176.20 1ija n LYS 119 N -0.94 -0.04 -3.56 8.23 4.81 -1.26 -4.78 118.16 120.62 1ija n LYS 119 Ca -0.04 0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.30 1ija n LYS 119 Cb 0.65 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.17 1ija n LYS 119 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1ija s GLN 120 N -2.68 1.31 -0.36 1.64 -2.07 -1.00 -2.65 119.66 113.85 1ija s GLN 120 Ca 0.53 -0.64 -0.01 0.00 -1.82 0.00 0.00 55.36 53.42 1ija s GLN 120 Cb -0.26 0.56 0.09 0.00 -1.09 0.00 0.00 33.01 32.31 1ija s GLN 120 CO 0.70 -0.56 0.11 -0.51 -1.32 0.00 0.00 175.29 173.70 1ija s LEU 121 N -2.80 4.70 0.06 2.60 1.43 -1.14 -2.95 118.68 120.58 1ija s LEU 121 Ca 0.04 -1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 51.33 1ija s LEU 121 Cb -0.01 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1ija s LEU 121 CO -0.09 -0.42 0.23 -0.89 0.23 0.00 0.00 176.35 175.41 1ija s THR 122 N 1.13 5.37 0.05 5.49 2.01 0.24 -2.19 115.64 127.74 1ija s THR 122 Ca 0.04 -0.28 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1ija s THR 122 Cb -0.21 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1ija s THR 122 CO -0.04 0.16 0.02 -0.22 -0.69 0.00 0.00 174.62 173.86 1ija s LEU 123 N -2.41 2.20 0.08 4.42 0.20 -1.15 -0.80 118.68 121.22 1ija s LEU 123 Ca 0.34 -0.81 0.06 0.00 0.69 0.00 0.00 54.13 54.41 1ija s LEU 123 Cb -0.13 0.37 -0.03 0.00 -0.43 0.00 0.00 46.19 45.97 1ija s LEU 123 CO 0.26 -0.56 -0.16 -0.63 -0.29 0.00 0.00 176.35 174.96 1ija s ILE 124 N -3.38 1.32 0.50 6.68 1.01 0.52 -3.11 121.20 124.73 1ija s ILE 124 Ca 0.02 -1.39 -0.03 0.00 0.00 0.00 0.00 60.65 59.25 1ija s ILE 124 Cb 0.04 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 1ija s ILE 124 CO -0.08 -0.17 0.77 0.42 0.00 0.00 0.00 174.94 175.87 1ija s THR 125 N -1.24 4.09 -0.43 2.92 -4.23 -1.14 -0.84 115.64 114.76 1ija s THR 125 Ca 0.01 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1ija s THR 125 Cb -0.10 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.36 1ija s THR 125 CO 0.03 -0.48 0.44 0.00 -0.54 0.00 0.00 174.62 174.07 1ija s ASP 127 N 0.52 0.42 -0.54 0.00 -4.77 -1.26 -4.17 116.67 106.86 1ija s ASP 127 Ca 0.29 -0.05 -0.03 0.00 -3.30 0.00 0.00 52.55 49.47 1ija s ASP 127 Cb -0.01 -0.16 -0.03 0.00 -1.09 0.00 0.00 42.92 41.63 1ija s ASP 127 CO -0.13 -0.04 0.48 0.47 0.70 0.00 0.00 175.17 176.65 1ija n ASP 128 N 3.67 -4.68 -4.70 2.11 8.00 -1.26 -4.21 116.55 115.48 1ija n ASP 128 Ca -0.21 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 1ija n ASP 128 Cb 0.54 -3.14 -0.03 0.00 -0.02 0.00 0.00 41.12 38.47 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 -3.17 2.44 -0.28 1.24 6.14 -1.26 -2.86 117.35 119.61 1ija s TYR 129 Ca 0.20 0.23 -0.24 0.00 0.64 0.00 0.00 57.07 57.90 1ija s TYR 129 Cb -0.03 -4.06 -0.00 0.00 0.42 0.00 0.00 41.96 38.29 1ija s TYR 129 CO 0.41 -4.23 0.80 1.21 0.64 0.00 0.00 175.55 174.38 1ija s ASN 130 N 2.25 6.74 0.00 4.32 2.47 -0.61 -4.77 114.94 125.33 1ija s ASN 130 Ca 0.76 0.84 0.27 0.00 0.42 0.00 0.00 52.86 55.15 1ija s ASN 130 Cb -0.44 -2.42 1.34 0.00 -1.45 0.00 0.00 41.25 38.29 1ija s ASN 130 CO 0.34 -0.56 1.90 -1.84 -3.72 0.00 0.00 177.10 173.21 1ija n GLU 131 N 6.11 1.30 -0.07 0.43 0.28 -1.26 -2.34 120.64 125.09 1ija n GLU 131 Ca 0.04 -0.45 -0.10 0.00 -0.16 0.00 0.00 57.16 56.49 1ija n GLU 131 Cb 0.48 -1.44 -0.09 0.00 1.43 0.00 0.00 31.44 31.81 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 1.02 0.00 -0.00 3.44 1.57 -1.93 -3.35 116.57 117.32 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 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ija h LYS 132 CO 0.00 0.71 -0.62 0.25 -0.57 0.00 0.00 179.45 179.22 1ija n THR 133 N -4.65 0.00 -2.87 -0.16 -2.24 -1.25 -4.96 114.28 98.15 1ija n THR 133 Ca -0.08 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 1ija n THR 133 Cb 0.36 0.68 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.46 0.35 3.26 3.38 0.00 -0.99 -5.04 105.19 107.61 1ija n GLY 134 Ca 0.07 -0.31 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.12 0.11 -0.18 1.61 1.01 -1.07 -5.03 120.40 113.72 1ija s VAL 135 Ca 0.19 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.59 1ija s VAL 135 Cb -0.09 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1ija s VAL 135 CO 0.28 -0.48 1.79 0.26 0.00 0.00 0.00 175.10 176.95 1ija s TRP 136 N -3.92 1.79 0.00 5.22 0.52 -1.26 -1.57 118.94 119.72 1ija s TRP 136 Ca 0.11 0.37 0.00 0.00 0.02 0.00 0.00 56.10 56.60 1ija s TRP 136 Cb 0.04 -4.02 0.00 0.00 -1.15 0.00 0.00 33.47 28.34 1ija s TRP 136 CO -0.06 -3.60 0.38 -1.91 0.02 0.00 0.00 176.95 171.78 1ija n GLU 137 N 7.85 0.00 -2.98 4.98 2.13 -1.13 -4.40 120.64 127.08 1ija n GLU 137 Ca 0.21 0.38 -0.34 0.00 0.66 0.00 0.00 57.16 58.07 1ija n GLU 137 Cb 0.44 -0.86 -0.06 0.00 0.27 0.00 0.00 31.44 31.23 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 -0.81 4.20 -0.44 5.31 2.20 -1.26 -4.99 119.74 123.95 1ija s LYS 138 Ca 0.00 0.93 0.06 0.00 -0.36 0.00 0.00 55.97 56.61 1ija s LYS 138 Cb 0.00 -2.48 0.22 0.00 -1.51 0.00 0.00 37.83 34.06 1ija s LYS 138 CO 0.00 0.16 0.61 0.54 -0.36 0.00 0.00 175.35 176.29 1ija n ARG 139 N -0.13 0.58 -1.77 4.03 1.74 -1.26 -4.62 116.66 115.22 1ija n ARG 139 Ca 0.03 -2.64 -0.31 0.00 -0.77 0.00 0.00 57.85 54.16 1ija n ARG 139 Cb 0.53 -1.42 0.03 0.00 -1.02 0.00 0.00 32.46 30.57 1ija n ARG 139 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1ija s LYS 140 N -0.09 3.25 0.03 5.56 1.02 -1.26 -4.81 119.74 123.43 1ija s LYS 140 Ca 0.33 0.92 -0.01 0.00 0.02 0.00 0.00 55.97 57.23 1ija s LYS 140 Cb 0.13 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.38 1ija s LYS 140 CO -0.16 -0.85 -0.00 0.96 -0.92 0.00 0.00 175.35 174.38 1ija s ILE 141 N -2.99 0.14 0.27 2.17 -0.00 -1.26 -2.89 121.20 116.64 1ija s ILE 141 Ca 0.58 -1.17 0.02 0.00 -0.00 0.00 0.00 60.65 60.07 1ija s ILE 141 Cb -0.13 -0.70 -0.05 0.00 -0.00 0.00 0.00 42.46 41.58 1ija s ILE 141 CO 0.51 -0.65 0.12 0.72 -0.00 0.00 0.00 174.94 175.64 1ija s PHE 142 N -2.29 1.51 -0.30 1.37 -0.71 -1.18 -2.38 117.98 114.00 1ija s PHE 142 Ca -0.08 -1.26 -0.09 0.00 -1.04 0.00 0.00 56.93 54.45 1ija s PHE 142 Cb -0.04 -0.85 0.15 0.00 -1.21 0.00 0.00 43.02 41.08 1ija s PHE 142 CO -0.04 -0.43 0.74 0.54 -1.34 0.00 0.00 175.22 174.69 1ija s VAL 143 N -3.75 -0.85 0.62 -2.49 0.11 -0.51 -2.95 120.40 110.57 1ija s VAL 143 Ca 0.37 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.48 1ija s VAL 143 Cb 0.07 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 34.02 1ija s VAL 143 CO 0.15 0.00 0.86 0.00 -3.33 0.00 0.00 175.10 172.77 1ija s ALA 144 N 2.80 4.33 -0.12 1.54 0.00 -0.93 -2.60 121.76 126.78 1ija s ALA 144 Ca 0.00 -1.98 -0.06 0.00 0.00 0.00 0.00 51.96 49.93 1ija s ALA 144 Cb -0.11 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.39 1ija s ALA 144 CO -0.19 -1.06 0.28 -0.08 0.00 0.00 0.00 175.76 174.71 1ija s THR 145 N -2.83 -0.12 -0.08 0.00 -1.32 -1.18 -2.87 115.64 107.23 1ija s THR 145 Ca 0.63 0.16 -0.29 0.00 -1.21 0.00 0.00 61.69 60.98 1ija s THR 145 Cb -0.06 -0.43 -0.06 0.00 -1.51 0.00 0.00 72.50 70.44 1ija s THR 145 CO 0.41 0.07 1.85 -0.70 -2.21 0.00 0.00 174.62 174.04 1ija s GLU 146 N 1.53 3.93 0.00 7.08 2.12 -1.08 -3.02 118.70 129.26 1ija s GLU 146 Ca -0.07 2.22 0.00 0.00 0.36 0.00 0.00 54.97 57.48 1ija s GLU 146 Cb -0.10 -4.12 0.00 0.00 0.26 0.00 0.00 34.13 30.16 1ija s GLU 146 CO -0.09 -1.17 0.00 0.28 -0.54 0.00 0.00 175.26 173.73 1ija n VAL 147 N 6.04 0.00 -0.15 3.70 0.31 -1.26 -4.81 118.33 122.16 1ija n VAL 147 Ca 0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1ija n VAL 147 Cb 0.43 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1ija n VAL 147 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80