#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijx s THR 5 N 0.00 4.53 -0.37 0.58 2.01 -1.26 -4.66 115.64 116.47 3ijx s THR 5 Ca 0.00 1.82 -0.29 0.00 0.31 0.00 0.00 61.69 63.53 3ijx s THR 5 Cb 0.00 -4.17 0.02 0.00 0.01 0.00 0.00 72.50 68.36 3ijx s THR 5 CO 0.00 0.04 1.10 -0.69 -0.69 0.00 0.00 174.62 174.37 3ijx s VAL 6 N 1.83 4.42 -0.33 3.82 1.01 0.13 -4.85 120.40 126.42 3ijx s VAL 6 Ca 0.53 1.59 -0.29 0.00 0.00 0.00 0.00 61.98 63.81 3ijx s VAL 6 Cb -0.22 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.68 3ijx s VAL 6 CO 0.22 -0.64 1.58 -0.69 0.00 0.00 0.00 175.10 175.57 3ijx s VAL 7 N 3.89 3.73 -0.36 2.92 1.01 -1.26 -2.10 120.40 128.23 3ijx s VAL 7 Ca 0.46 0.77 -0.13 0.00 0.00 0.00 0.00 61.98 63.08 3ijx s VAL 7 Cb -0.11 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3ijx s VAL 7 CO 0.20 -0.52 0.25 -0.69 0.00 0.00 0.00 175.10 174.35 3ijx s VAL 8 N 5.78 5.24 0.22 2.92 1.01 -0.47 -1.65 120.40 133.45 3ijx s VAL 8 Ca 0.69 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 3ijx s VAL 8 Cb -0.19 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 3ijx s VAL 8 CO 0.31 -0.10 0.68 0.28 0.00 0.00 0.00 175.10 176.27 3ijx s THR 9 N 1.70 4.67 0.34 3.92 -1.32 0.21 -1.70 115.64 123.47 3ijx s THR 9 Ca 0.06 1.08 -0.17 0.00 -1.21 0.00 0.00 61.69 61.45 3ijx s THR 9 Cb -0.18 -3.78 0.04 0.00 -1.51 0.00 0.00 72.50 67.07 3ijx s THR 9 CO 0.10 0.14 0.75 0.28 -2.21 0.00 0.00 174.62 173.68 3ijx s THR 10 N -1.60 0.00 0.17 5.08 -1.32 -0.73 -1.39 115.64 115.85 3ijx s THR 10 Ca 0.44 -1.03 0.07 0.00 -1.21 0.00 0.00 61.69 59.96 3ijx s THR 10 Cb -0.15 -2.55 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 3ijx s THR 10 CO 0.20 0.00 -0.15 -0.51 -2.21 0.00 0.00 174.62 171.95 3ijx s ILE 11 N -2.95 1.62 -0.33 5.08 2.07 -1.26 -0.41 121.20 125.03 3ijx s ILE 11 Ca 0.15 -2.03 -0.24 0.00 -1.41 0.00 0.00 60.65 57.11 3ijx s ILE 11 Cb -0.05 -1.88 0.01 0.00 0.13 0.00 0.00 42.46 40.67 3ijx s ILE 11 CO 0.10 -0.51 0.84 -0.76 -1.91 0.00 0.00 174.94 172.70 3ijx s LEU 12 N -2.98 4.07 -0.30 8.50 1.43 -1.26 -4.35 118.68 123.79 3ijx s LEU 12 Ca 0.18 0.60 -0.03 0.00 -1.03 0.00 0.00 54.13 53.85 3ijx s LEU 12 Cb -0.02 -3.14 0.18 0.00 0.03 0.00 0.00 46.19 43.24 3ijx s LEU 12 CO 0.05 -0.71 0.65 -0.70 0.23 0.00 0.00 176.35 175.87 3ijx s GLU 13 N 3.14 0.53 0.20 1.70 2.56 -0.72 -4.97 118.70 121.15 3ijx s GLU 13 Ca 0.34 0.99 -0.30 0.00 0.00 0.00 0.00 54.97 56.00 3ijx s GLU 13 Cb -0.13 0.56 -0.09 0.00 2.00 0.00 0.00 34.13 36.47 3ijx s GLU 13 CO 0.15 -0.54 1.33 -1.12 -0.56 0.00 0.00 175.26 174.52 3ijx s SER 14 N 2.87 6.87 -0.59 -1.70 0.01 -1.26 0.86 113.70 120.76 3ijx s SER 14 Ca 0.16 2.42 0.02 0.00 1.31 0.00 0.00 55.95 59.85 3ijx s SER 14 Cb -0.14 -2.61 0.42 0.00 0.21 0.00 0.00 66.02 63.89 3ijx s SER 14 CO -0.20 -0.55 1.63 -0.81 0.41 0.00 0.00 173.24 173.72 3ijx n PRO 15 N 2.71 3.08 -0.07 12.44 -0.04 -1.26 -4.88 135.00 146.99 3ijx n PRO 15 Ca 0.07 -3.84 -0.07 0.00 -0.04 0.00 0.00 63.50 59.62 3ijx n PRO 15 Cb 0.43 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.57 3ijx n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3ijx h TYR 16 N 2.48 0.00 -3.56 0.54 0.05 0.11 -1.74 116.97 114.84 3ijx h TYR 16 Ca 0.47 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.71 3ijx h TYR 16 Cb 0.75 0.00 -0.33 0.00 1.01 0.00 0.00 36.73 38.17 3ijx h TYR 16 CO 1.09 0.36 -0.83 0.08 -1.05 0.00 0.00 178.16 177.81 3ijx s VAL 17 N -1.98 1.30 -0.00 -2.88 1.01 -0.97 -1.18 120.40 115.70 3ijx s VAL 17 Ca -0.12 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 3ijx s VAL 17 Cb 0.01 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 3ijx s VAL 17 CO 0.26 0.39 0.05 -0.04 0.00 0.00 0.00 175.10 175.75 3ijx s MET 18 N 0.43 0.25 -0.13 2.72 -1.94 -0.54 -1.75 119.30 118.33 3ijx s MET 18 Ca -0.11 -0.26 -0.29 0.00 -1.71 0.00 0.00 55.69 53.31 3ijx s MET 18 Cb -0.14 0.10 -0.03 0.00 2.01 0.00 0.00 34.83 36.76 3ijx s MET 18 CO 0.04 -0.05 1.46 -1.64 -0.01 0.00 0.00 175.02 174.83 3ijx s MET 19 N -0.79 4.15 0.61 2.03 -1.94 -1.26 -1.86 119.30 120.25 3ijx s MET 19 Ca -0.09 1.86 -0.18 0.00 -1.71 0.00 0.00 55.69 55.57 3ijx s MET 19 Cb -0.05 -3.89 -0.03 0.00 2.01 0.00 0.00 34.83 32.87 3ijx s MET 19 CO 0.00 -0.85 1.23 0.21 -0.01 0.00 0.00 175.02 175.61 3ijx s LYS 20 N 3.88 2.83 0.45 2.03 2.20 0.35 -4.83 119.74 126.65 3ijx s LYS 20 Ca 0.64 1.90 0.16 0.00 -0.36 0.00 0.00 55.97 58.31 3ijx s LYS 20 Cb -0.27 -1.90 0.89 0.00 -1.51 0.00 0.00 37.83 35.04 3ijx s LYS 20 CO 0.23 -1.33 1.43 1.57 -0.36 0.00 0.00 175.35 176.88 3ijx h LYS 21 N 0.77 0.00 -2.16 4.03 5.09 -1.94 0.70 116.57 123.06 3ijx h LYS 21 Ca -0.51 0.00 -0.75 0.00 0.09 0.00 0.00 60.65 59.49 3ijx h LYS 21 Cb 1.31 0.00 -0.24 0.00 0.10 0.00 0.00 32.23 33.40 3ijx h LYS 21 CO 0.54 0.00 1.12 0.27 -2.09 0.00 0.00 179.45 179.29 3ijx n ASN 22 N -2.32 7.40 -0.34 7.07 2.04 -1.26 -4.85 115.26 122.99 3ijx n ASN 22 Ca -0.01 -3.63 0.11 0.00 -0.44 0.00 0.00 54.58 50.61 3ijx n ASN 22 Cb 0.42 -1.16 0.29 0.00 -2.53 0.00 0.00 39.78 36.80 3ijx n ASN 22 CO 0.00 0.00 0.00 1.12 -0.44 0.00 0.00 177.26 177.94 3ijx h HIS 23 N 3.61 1.03 0.00 -2.53 -0.00 -1.16 -2.59 115.15 113.50 3ijx h HIS 23 Ca 0.55 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.89 3ijx h HIS 23 Cb 0.25 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3ijx h HIS 23 CO 1.32 0.27 -1.35 -1.91 -0.00 0.00 0.00 177.93 176.26 3ijx n GLU 24 N -4.76 0.62 0.06 5.12 4.07 -1.26 -4.36 120.64 120.13 3ijx n GLU 24 Ca 0.21 0.09 0.12 0.00 -0.06 0.00 0.00 57.16 57.52 3ijx n GLU 24 Cb 0.50 -1.76 0.19 0.00 -0.06 0.00 0.00 31.44 30.32 3ijx n GLU 24 CO 0.00 0.00 0.00 -0.12 -0.06 0.00 0.00 177.13 176.95 3ijx n MET 25 N -2.67 0.26 -3.77 5.31 0.00 -0.98 -4.91 117.12 110.36 3ijx n MET 25 Ca -0.05 0.08 -0.23 0.00 -0.00 0.00 0.00 57.70 57.50 3ijx n MET 25 Cb 0.66 -1.67 -0.03 0.00 0.00 0.00 0.00 33.22 32.18 3ijx n MET 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3ijx s LEU 26 N -4.11 3.14 0.13 -0.89 1.43 -1.18 -5.14 118.68 112.06 3ijx s LEU 26 Ca 0.07 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3ijx s LEU 26 Cb 0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 3ijx s LEU 26 CO 0.71 -0.76 -0.01 -1.83 0.23 0.00 0.00 176.35 174.70 3ijx s GLU 27 N -4.13 0.93 6.92 1.70 -1.05 -1.26 -4.80 118.70 117.01 3ijx s GLU 27 Ca 0.43 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 3ijx s GLU 27 Cb -0.01 -0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.62 3ijx s GLU 27 CO 0.25 -0.13 0.00 0.41 0.95 0.00 0.00 175.26 176.74 3ijx n GLY 28 N -0.11 3.34 0.19 -3.83 0.00 -1.26 -2.67 105.19 100.85 3ijx n GLY 28 Ca -0.09 -0.18 0.05 0.00 0.00 0.00 0.00 46.02 45.80 3ijx n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3ijx h ASN 29 N 3.24 0.00 -0.99 1.61 4.21 -1.92 -3.19 115.58 118.53 3ijx h ASN 29 Ca 0.00 0.00 0.22 0.00 1.21 0.00 0.00 56.30 57.73 3ijx h ASN 29 Cb 0.00 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 37.11 3ijx h ASN 29 CO 0.00 0.39 0.63 -0.33 -1.29 0.00 0.00 177.43 176.83 3ijx h GLU 30 N 0.00 0.51 -1.10 0.81 3.07 -1.92 -2.65 114.58 113.30 3ijx h GLU 30 Ca -0.00 -0.03 0.32 0.00 -0.50 0.00 0.00 59.36 59.15 3ijx h GLU 30 Cb 0.87 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.62 3ijx h GLU 30 CO 0.05 0.34 0.93 0.00 -1.40 0.00 0.00 179.01 178.93 3ijx h ARG 31 N 0.53 0.00 -6.47 2.33 3.08 -1.68 -3.42 114.38 108.74 3ijx h ARG 31 Ca 0.56 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.95 3ijx h ARG 31 Cb 1.20 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.11 3ijx h ARG 31 CO -0.30 0.00 -0.71 0.71 -1.07 0.00 0.00 179.97 178.60 3ijx s TYR 32 N -4.75 2.84 0.19 3.04 2.02 -1.00 -0.50 117.35 119.19 3ijx s TYR 32 Ca -0.04 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 3ijx s TYR 32 Cb 0.20 -1.47 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 3ijx s TYR 32 CO 0.69 0.45 0.06 -1.83 -1.57 0.00 0.00 175.55 173.35 3ijx s GLU 33 N -2.27 1.17 0.00 -0.62 -1.05 -0.77 -4.83 118.70 110.33 3ijx s GLU 33 Ca 0.23 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.46 3ijx s GLU 33 Cb -0.11 -0.06 0.00 0.00 -0.44 0.00 0.00 34.13 33.52 3ijx s GLU 33 CO 0.16 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.52 3ijx n GLY 34 N -0.28 3.45 0.36 -3.83 0.00 -1.26 -1.47 105.19 102.16 3ijx n GLY 34 Ca -0.03 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 3ijx n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3ijx h TYR 35 N 0.00 -1.02 0.00 1.61 5.03 -1.05 0.13 116.97 121.67 3ijx h TYR 35 Ca 0.00 0.09 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 3ijx h TYR 35 Cb 0.00 0.55 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 3ijx h TYR 35 CO 0.00 -0.39 -0.07 0.00 -1.32 0.00 0.00 178.16 176.38 3ijx h VAL 37 N 0.00 1.44 -0.14 0.00 2.07 -0.82 -2.27 116.25 116.52 3ijx h VAL 37 Ca -0.00 -2.57 -0.07 0.00 0.82 0.00 0.00 66.70 64.88 3ijx h VAL 37 Cb 0.61 2.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.88 3ijx h VAL 37 CO 0.01 0.76 -0.18 0.44 0.02 0.00 0.00 177.57 178.62 3ijx h ASP 38 N 0.18 0.40 -0.47 0.57 3.32 -1.02 -2.99 116.42 116.41 3ijx h ASP 38 Ca -0.08 -0.51 0.06 0.00 0.02 0.00 0.00 57.03 56.52 3ijx h ASP 38 Cb 1.61 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.00 3ijx h ASP 38 CO 0.16 0.83 0.17 0.25 -1.72 0.00 0.00 179.24 178.94 3ijx h LEU 39 N -0.02 0.18 -1.60 1.55 5.85 -1.29 -1.15 115.31 118.84 3ijx h LEU 39 Ca 0.02 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3ijx h LEU 39 Cb 0.74 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3ijx h LEU 39 CO 0.04 0.13 -0.17 0.00 -0.34 0.00 0.00 178.44 178.10 3ijx h ALA 40 N 1.31 1.19 -0.11 1.25 0.00 -1.48 -0.77 119.26 120.65 3ijx h ALA 40 Ca 0.22 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ijx h ALA 40 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3ijx h ALA 40 CO -0.23 0.22 -0.25 0.00 0.00 0.00 0.00 179.25 178.99 3ijx h ALA 41 N 1.83 0.18 -0.43 0.00 0.00 -1.07 -1.72 119.26 118.05 3ijx h ALA 41 Ca -0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 3ijx h ALA 41 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3ijx h ALA 41 CO 0.02 0.17 -0.31 0.93 0.00 0.00 0.00 179.25 180.07 3ijx h GLU 42 N -0.05 0.97 -0.56 0.00 4.39 -0.95 -0.25 114.58 118.12 3ijx h GLU 42 Ca 0.00 -0.46 0.10 0.00 0.34 0.00 0.00 59.36 59.33 3ijx h GLU 42 Cb 0.85 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.42 3ijx h GLU 42 CO 0.06 1.13 0.14 0.82 -1.16 0.00 0.00 179.01 180.00 3ijx h ILE 43 N 0.81 0.71 -0.01 3.13 1.08 -1.19 0.16 117.51 122.20 3ijx h ILE 43 Ca 0.09 -0.10 -0.13 0.00 -0.39 0.00 0.00 64.86 64.33 3ijx h ILE 43 Cb 0.89 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 3ijx h ILE 43 CO 0.08 0.05 -0.60 0.00 -0.69 0.00 0.00 178.15 176.99 3ijx h ALA 44 N 1.43 1.00 0.04 1.87 0.00 -0.93 -1.32 119.26 121.34 3ijx h ALA 44 Ca 0.29 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ijx h ALA 44 Cb 0.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ijx h ALA 44 CO -0.35 0.75 -0.02 1.57 0.00 0.00 0.00 179.25 181.20 3ijx h LYS 45 N 0.01 -0.05 0.00 0.00 5.09 -0.41 -1.60 116.57 119.61 3ijx h LYS 45 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 3ijx h LYS 45 Cb 1.07 0.01 0.00 0.00 0.10 0.00 0.00 32.23 33.41 3ijx h LYS 45 CO 0.08 0.37 0.00 0.45 -2.09 0.00 0.00 179.45 178.26 3ijx h HIS 46 N -0.48 0.00 -0.07 0.07 -0.00 -0.56 -2.50 115.15 111.60 3ijx h HIS 46 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 3ijx h HIS 46 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.85 3ijx h HIS 46 CO 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 178.00 3ijx n GLY 48 N 0.99 -0.79 3.22 0.00 0.00 -0.67 -5.03 105.19 102.91 3ijx n GLY 48 Ca 0.11 0.37 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 3ijx n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ijx s PHE 49 N -3.43 1.25 0.16 1.61 -0.12 -0.81 -5.06 117.98 111.58 3ijx s PHE 49 Ca 0.27 -1.37 0.08 0.00 -0.05 0.00 0.00 56.93 55.86 3ijx s PHE 49 Cb -0.05 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 3ijx s PHE 49 CO 0.76 -0.61 -0.07 -1.59 -0.05 0.00 0.00 175.22 173.67 3ijx s LYS 50 N -4.10 2.18 0.00 1.99 0.00 -1.26 -4.63 119.74 113.91 3ijx s LYS 50 Ca 0.39 -1.17 -0.12 0.00 0.00 0.00 0.00 55.97 55.07 3ijx s LYS 50 Cb 0.07 -2.25 0.01 0.00 0.00 0.00 0.00 37.83 35.66 3ijx s LYS 50 CO 0.13 0.46 0.24 1.52 0.00 0.00 0.00 175.35 177.69 3ijx s TYR 51 N -1.62 -0.07 -0.16 1.78 1.13 -1.26 0.18 117.35 117.34 3ijx s TYR 51 Ca 0.25 0.03 -0.04 0.00 -1.41 0.00 0.00 57.07 55.91 3ijx s TYR 51 Cb -0.09 0.03 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 3ijx s TYR 51 CO 0.16 -0.37 -0.04 0.21 -2.51 0.00 0.00 175.55 173.00 3ijx s LYS 52 N -1.62 3.64 -0.19 -3.49 2.20 -0.89 -4.90 119.74 114.50 3ijx s LYS 52 Ca -0.12 -0.53 -0.24 0.00 -0.36 0.00 0.00 55.97 54.71 3ijx s LYS 52 Cb -0.05 -2.91 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 3ijx s LYS 52 CO 0.02 0.22 0.79 -0.51 -0.36 0.00 0.00 175.35 175.50 3ijx s LEU 53 N 0.41 4.15 0.12 5.43 1.43 -1.26 -1.37 118.68 127.60 3ijx s LEU 53 Ca -0.04 1.07 0.10 0.00 -1.03 0.00 0.00 54.13 54.24 3ijx s LEU 53 Cb -0.14 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 3ijx s LEU 53 CO 0.03 -0.39 -0.25 0.42 0.23 0.00 0.00 176.35 176.38 3ijx s THR 54 N 2.22 2.12 -0.05 5.49 -4.23 -0.69 -4.83 115.64 115.67 3ijx s THR 54 Ca 0.36 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 58.99 3ijx s THR 54 Cb -0.16 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.75 3ijx s THR 54 CO 0.11 0.06 0.52 -0.63 -0.54 0.00 0.00 174.62 174.14 3ijx s ILE 55 N -1.08 5.03 0.49 2.99 -1.09 -1.26 -1.78 121.20 124.51 3ijx s ILE 55 Ca 0.12 1.08 -0.23 0.00 -2.23 0.00 0.00 60.65 59.39 3ijx s ILE 55 Cb -0.10 -3.86 -0.08 0.00 -1.58 0.00 0.00 42.46 36.85 3ijx s ILE 55 CO 0.05 0.41 1.19 0.55 -1.23 0.00 0.00 174.94 175.91 3ijx n VAL 56 N 2.94 3.07 0.03 2.92 3.14 0.45 -4.88 118.33 126.00 3ijx n VAL 56 Ca -0.08 -0.50 -0.11 0.00 -2.96 0.00 0.00 64.34 60.69 3ijx n VAL 56 Cb 0.51 -1.45 -0.08 0.00 -1.06 0.00 0.00 33.84 31.76 3ijx n VAL 56 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 3ijx h GLY 57 N 1.53 -0.17 -0.88 7.55 0.00 -1.95 -3.19 103.07 105.98 3ijx h GLY 57 Ca -0.48 0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3ijx h GLY 57 CO 0.57 -0.06 0.00 2.09 0.00 0.00 0.00 176.54 179.14 3ijx n ASP 58 N -4.88 0.82 -2.24 0.19 3.85 -1.26 -4.85 116.55 108.18 3ijx n ASP 58 Ca -0.08 -1.87 -0.01 0.00 -0.71 0.00 0.00 54.79 52.12 3ijx n ASP 58 Cb 0.28 -0.41 -0.00 0.00 -1.35 0.00 0.00 41.12 39.64 3ijx n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3ijx n GLY 59 N 0.08 -0.39 3.74 6.12 0.00 -1.21 -4.93 105.19 108.61 3ijx n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3ijx n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijx s LYS 60 N -4.49 2.33 -0.18 1.61 1.02 -1.26 -4.98 119.74 113.78 3ijx s LYS 60 Ca 0.00 -1.62 -0.18 0.00 0.02 0.00 0.00 55.97 54.19 3ijx s LYS 60 Cb 0.00 -2.13 -0.14 0.00 -0.52 0.00 0.00 37.83 35.04 3ijx s LYS 60 CO 0.00 0.04 0.12 1.88 -0.92 0.00 0.00 175.35 176.48 3ijx h TYR 61 N 1.51 0.00 0.00 3.18 -1.99 -1.88 -2.80 116.97 114.98 3ijx h TYR 61 Ca -0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 3ijx h TYR 61 Cb 1.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.98 3ijx h TYR 61 CO 0.62 1.02 0.00 0.41 -0.00 0.00 0.00 178.16 180.22 3ijx n GLY 62 N 1.50 2.82 3.65 3.88 0.00 -1.00 -1.57 105.19 114.47 3ijx n GLY 62 Ca -0.24 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 3ijx n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ijx s ALA 63 N 0.00 3.44 -0.17 4.61 0.00 -1.25 -4.78 121.76 123.61 3ijx s ALA 63 Ca 0.00 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 3ijx s ALA 63 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3ijx s ALA 63 CO 0.00 -0.13 -0.09 0.50 0.00 0.00 0.00 175.76 176.04 3ijx s ARG 64 N -3.80 3.39 0.05 0.00 6.06 -1.26 -1.77 118.95 121.61 3ijx s ARG 64 Ca 0.21 -0.65 -0.30 0.00 -2.50 0.00 0.00 55.73 52.49 3ijx s ARG 64 Cb 0.05 -2.80 -0.09 0.00 0.06 0.00 0.00 34.95 32.17 3ijx s ARG 64 CO 0.11 0.03 1.83 0.34 -2.50 0.00 0.00 175.30 175.11 3ijx s ASP 65 N 0.84 6.51 0.35 -2.12 2.15 -0.74 -4.86 116.67 118.80 3ijx s ASP 65 Ca -0.03 2.58 0.13 0.00 0.43 0.00 0.00 52.55 55.66 3ijx s ASP 65 Cb -0.15 -2.54 0.66 0.00 -0.30 0.00 0.00 42.92 40.58 3ijx s ASP 65 CO 0.01 -0.99 1.78 0.00 -0.17 0.00 0.00 175.17 175.80 3ijx h ALA 66 N 9.57 1.28 -3.00 3.66 0.00 -1.95 0.44 119.26 129.26 3ijx h ALA 66 Ca -0.46 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3ijx h ALA 66 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ijx h ALA 66 CO 0.94 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 180.47 3ijx n ASP 67 N -4.00 0.00 0.08 0.00 8.00 -1.26 -4.35 116.55 115.02 3ijx n ASP 67 Ca -0.02 0.41 0.04 0.00 0.71 0.00 0.00 54.79 55.93 3ijx n ASP 67 Cb 0.45 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3ijx n ASP 67 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 3ijx h THR 68 N 0.00 0.42 0.00 -3.53 1.35 -1.97 -3.47 112.91 105.71 3ijx h THR 68 Ca 0.00 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.12 3ijx h THR 68 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3ijx h THR 68 CO 0.00 0.24 0.00 0.29 -0.25 0.00 0.00 175.52 175.80 3ijx n LYS 69 N -2.92 0.00 -3.05 4.72 4.76 0.15 -5.03 118.16 116.79 3ijx n LYS 69 Ca -0.04 0.03 -0.39 0.00 -2.87 0.00 0.00 58.31 55.03 3ijx n LYS 69 Cb 0.73 -1.96 -0.06 0.00 -1.84 0.00 0.00 35.03 31.91 3ijx n LYS 69 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijx s ILE 70 N -2.00 4.53 0.13 -0.18 -1.09 -1.25 -4.72 121.20 116.62 3ijx s ILE 70 Ca 0.00 1.57 -0.27 0.00 -2.23 0.00 0.00 60.65 59.72 3ijx s ILE 70 Cb 0.00 -4.08 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 3ijx s ILE 70 CO 0.00 0.50 0.86 0.26 -1.23 0.00 0.00 174.94 175.32 3ijx s TRP 71 N -0.90 3.85 0.51 3.97 0.52 -1.26 -1.79 118.94 123.84 3ijx s TRP 71 Ca 0.35 1.69 0.06 0.00 0.02 0.00 0.00 56.10 58.22 3ijx s TRP 71 Cb -0.22 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.21 3ijx s TRP 71 CO 0.24 0.35 0.35 0.54 0.02 0.00 0.00 176.95 178.45 3ijx s ASN 72 N -0.54 4.64 0.87 2.95 2.20 -0.73 -4.40 114.94 119.93 3ijx s ASN 72 Ca 0.41 -1.17 0.00 0.00 -0.94 0.00 0.00 52.86 51.16 3ijx s ASN 72 Cb -0.23 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.17 3ijx s ASN 72 CO 0.27 -0.95 0.00 0.61 -2.94 0.00 0.00 177.10 174.09 3ijx n GLY 73 N -1.64 0.64 0.37 0.45 0.00 -1.26 -2.71 105.19 101.04 3ijx n GLY 73 Ca -0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.10 3ijx n GLY 73 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ijx h MET 74 N 0.00 1.23 -0.99 1.61 2.86 -1.00 0.01 114.93 118.65 3ijx h MET 74 Ca 0.00 -0.10 0.14 0.00 -2.06 0.00 0.00 59.70 57.69 3ijx h MET 74 Cb 0.00 -0.27 -0.09 0.00 0.06 0.00 0.00 31.60 31.30 3ijx h MET 74 CO 0.00 0.85 0.62 0.28 1.06 0.00 0.00 176.91 179.72 3ijx h VAL 75 N 1.26 0.85 -0.30 -2.22 2.07 -1.52 -0.99 116.25 115.40 3ijx h VAL 75 Ca 0.33 -0.30 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 3ijx h VAL 75 Cb -0.09 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.56 3ijx h VAL 75 CO -0.07 0.16 -0.48 1.23 0.02 0.00 0.00 177.57 178.43 3ijx h GLY 76 N 0.89 0.94 1.87 2.17 0.00 -0.82 -0.17 103.07 107.94 3ijx h GLY 76 Ca 0.51 -1.06 0.02 0.00 0.00 0.00 0.00 47.33 46.80 3ijx h GLY 76 CO -0.29 0.96 0.05 0.83 0.00 0.00 0.00 176.54 178.09 3ijx h GLU 77 N 0.64 0.00 0.00 4.80 4.39 -0.26 0.39 114.58 124.54 3ijx h GLU 77 Ca 0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3ijx h GLU 77 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 3ijx h GLU 77 CO 0.11 0.00 -0.29 -0.07 -1.16 0.00 0.00 179.01 177.60 3ijx h LEU 78 N 0.00 0.00 -0.80 1.33 3.38 -1.16 -0.60 115.31 117.46 3ijx h LEU 78 Ca 0.03 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 58.02 3ijx h LEU 78 Cb 0.13 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.72 3ijx h LEU 78 CO -0.00 0.73 -0.19 0.58 0.09 0.00 0.00 178.44 179.65 3ijx h VAL 79 N -1.00 0.20 -0.51 1.22 2.07 -0.77 -2.46 116.25 115.00 3ijx h VAL 79 Ca -0.03 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3ijx h VAL 79 Cb 0.39 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3ijx h VAL 79 CO -0.02 0.00 0.04 -1.22 0.02 0.00 0.00 177.57 176.39 3ijx n TYR 80 N -5.52 1.83 -1.00 1.57 4.01 0.14 -4.94 117.16 113.26 3ijx n TYR 80 Ca 0.12 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 57.17 3ijx n TYR 80 Cb 0.41 -0.48 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3ijx n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ijx n GLY 81 N 0.42 0.75 0.07 2.72 0.00 -0.93 -4.91 105.19 103.32 3ijx n GLY 81 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3ijx n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijx n LYS 82 N -2.48 0.15 -3.63 1.61 4.76 -0.44 -4.84 118.16 113.29 3ijx n LYS 82 Ca 0.00 0.18 -0.16 0.00 -2.87 0.00 0.00 58.31 55.46 3ijx n LYS 82 Cb 0.00 -1.70 -0.07 0.00 -1.84 0.00 0.00 35.03 31.42 3ijx n LYS 82 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ijx s ALA 83 N -3.09 -1.38 -0.83 7.82 0.00 -0.36 -5.01 121.76 118.91 3ijx s ALA 83 Ca 0.11 1.06 0.23 0.00 0.00 0.00 0.00 51.96 53.36 3ijx s ALA 83 Cb 0.14 -0.17 0.17 0.00 0.00 0.00 0.00 23.12 23.26 3ijx s ALA 83 CO 0.52 -0.31 1.16 -0.25 0.00 0.00 0.00 175.76 176.88 3ijx n ASP 84 N 1.42 0.65 -3.61 0.00 8.00 -0.66 -4.41 116.55 117.95 3ijx n ASP 84 Ca -0.19 -0.37 -0.09 0.00 0.71 0.00 0.00 54.79 54.85 3ijx n ASP 84 Cb 0.56 0.61 -0.06 0.00 -0.02 0.00 0.00 41.12 42.22 3ijx n ASP 84 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3ijx s ILE 85 N -3.08 0.00 -0.29 0.53 2.07 -1.12 -4.31 121.20 114.99 3ijx s ILE 85 Ca 0.07 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.31 3ijx s ILE 85 Cb 0.16 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.80 3ijx s ILE 85 CO 0.77 0.00 -0.03 0.00 -1.91 0.00 0.00 174.94 173.78 3ijx s ALA 86 N -0.55 2.76 -0.73 1.50 0.00 -0.47 0.66 121.76 124.93 3ijx s ALA 86 Ca 0.01 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.12 3ijx s ALA 86 Cb -0.02 -1.85 0.19 0.00 0.00 0.00 0.00 23.12 21.43 3ijx s ALA 86 CO -0.03 -1.25 0.61 0.42 0.00 0.00 0.00 175.76 175.51 3ijx s ILE 87 N 1.22 4.73 0.35 0.00 1.01 -0.49 -2.84 121.20 125.18 3ijx s ILE 87 Ca -0.06 -2.67 -0.09 0.00 0.00 0.00 0.00 60.65 57.82 3ijx s ILE 87 Cb -0.20 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.33 3ijx s ILE 87 CO -0.02 -0.96 0.63 0.00 0.00 0.00 0.00 174.94 174.60 3ijx n ALA 88 N 3.78 -1.14 -0.71 9.38 0.00 -1.26 -4.69 120.51 125.86 3ijx n ALA 88 Ca 0.10 -1.31 -0.08 0.00 0.00 0.00 0.00 53.44 52.16 3ijx n ALA 88 Cb 0.43 1.05 -0.11 0.00 0.00 0.00 0.00 19.45 20.82 3ijx n ALA 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ijx n PRO 89 N -0.51 1.41 -2.94 0.00 -0.04 -1.26 -4.75 135.00 126.91 3ijx n PRO 89 Ca -0.05 -0.64 -0.41 0.00 -0.04 0.00 0.00 63.50 62.36 3ijx n PRO 89 Cb 0.55 -1.76 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 3ijx n PRO 89 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ijx s LEU 90 N 0.00 4.14 -0.12 1.53 2.96 -1.26 -4.97 118.68 120.95 3ijx s LEU 90 Ca 0.43 1.06 -0.25 0.00 -0.22 0.00 0.00 54.13 55.15 3ijx s LEU 90 Cb 0.21 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 3ijx s LEU 90 CO 0.00 -0.40 0.80 -0.89 -1.32 0.00 0.00 176.35 174.54 3ijx s THR 91 N 2.29 4.93 -0.42 3.68 2.01 -1.26 -2.01 115.64 124.86 3ijx s THR 91 Ca 0.35 1.61 -0.27 0.00 0.31 0.00 0.00 61.69 63.69 3ijx s THR 91 Cb -0.16 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 3ijx s THR 91 CO 0.11 0.11 2.16 -0.63 -0.69 0.00 0.00 174.62 175.68 3ijx s ILE 92 N 1.61 3.15 0.43 1.82 1.01 -0.59 -4.92 121.20 123.71 3ijx s ILE 92 Ca 0.39 0.12 0.06 0.00 0.00 0.00 0.00 60.65 61.22 3ijx s ILE 92 Cb -0.17 -3.29 -0.06 0.00 0.01 0.00 0.00 42.46 38.95 3ijx s ILE 92 CO 0.16 -0.24 0.01 0.42 0.00 0.00 0.00 174.94 175.29 3ijx s THR 93 N 9.77 1.78 -0.02 2.92 -4.23 -1.26 -4.73 115.64 119.86 3ijx s THR 93 Ca 0.90 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 59.20 3ijx s THR 93 Cb -0.21 -2.79 -0.27 0.00 1.34 0.00 0.00 72.50 70.57 3ijx s THR 93 CO 0.29 0.00 1.00 0.25 -0.54 0.00 0.00 174.62 175.62 3ijx h LEU 94 N 1.67 0.48 -1.31 4.79 5.85 -1.97 -1.93 115.31 122.90 3ijx h LEU 94 Ca -0.44 -0.85 -0.02 0.00 0.84 0.00 0.00 57.88 57.41 3ijx h LEU 94 Cb 1.26 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3ijx h LEU 94 CO 0.79 1.28 0.19 -0.37 -0.34 0.00 0.00 178.44 179.99 3ijx h VAL 95 N -0.25 1.17 -0.07 1.05 -1.51 -2.00 -2.91 116.25 111.74 3ijx h VAL 95 Ca -0.10 -0.54 -0.06 0.00 -1.23 0.00 0.00 66.70 64.77 3ijx h VAL 95 Cb 1.44 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3ijx h VAL 95 CO 0.13 0.21 -0.20 0.03 -1.23 0.00 0.00 177.57 176.51 3ijx h ARG 96 N 0.66 0.26 0.00 5.19 3.08 -1.95 -3.00 114.38 118.61 3ijx h ARG 96 Ca 0.16 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3ijx h ARG 96 Cb 0.13 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3ijx h ARG 96 CO -0.02 0.80 0.01 -1.91 -1.07 0.00 0.00 179.97 177.79 3ijx n GLU 97 N -4.55 0.00 0.06 0.04 4.07 -0.73 0.00 120.64 119.55 3ijx n GLU 97 Ca -0.08 0.30 -0.02 0.00 -0.06 0.00 0.00 57.16 57.30 3ijx n GLU 97 Cb 0.42 -1.51 -0.07 0.00 -0.06 0.00 0.00 31.44 30.23 3ijx n GLU 97 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 3ijx h GLU 98 N 0.00 0.00 -0.00 5.31 5.08 -1.37 -3.39 114.58 120.21 3ijx h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ijx h GLU 98 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ijx h GLU 98 CO 0.00 0.55 -0.23 1.33 -1.00 0.00 0.00 179.01 179.66 3ijx n VAL 99 N -3.12 0.00 -4.12 3.13 0.24 0.10 -5.03 118.33 109.53 3ijx n VAL 99 Ca -0.05 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.77 3ijx n VAL 99 Cb 0.87 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 34.14 3ijx n VAL 99 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3ijx s ILE 100 N -1.42 0.14 -0.17 1.34 -4.36 -0.44 -4.15 121.20 112.13 3ijx s ILE 100 Ca 0.02 -1.84 -0.08 0.00 -0.26 0.00 0.00 60.65 58.49 3ijx s ILE 100 Cb 0.04 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.84 3ijx s ILE 100 CO 0.20 -0.62 0.09 -1.81 0.24 0.00 0.00 174.94 173.05 3ijx s ASP 101 N -3.00 5.94 -0.14 4.36 1.01 0.61 -4.34 116.67 121.10 3ijx s ASP 101 Ca 0.18 0.21 -0.02 0.00 0.71 0.00 0.00 52.55 53.63 3ijx s ASP 101 Cb 0.07 -1.99 -0.02 0.00 1.01 0.00 0.00 42.92 41.99 3ijx s ASP 101 CO -0.02 0.24 -0.08 -0.36 0.21 0.00 0.00 175.17 175.16 3ijx s PHE 102 N 0.00 2.93 0.99 4.23 0.08 -1.26 -0.72 117.98 124.23 3ijx s PHE 102 Ca 0.08 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 3ijx s PHE 102 Cb -0.12 -1.90 0.19 0.00 -0.57 0.00 0.00 43.02 40.62 3ijx s PHE 102 CO 0.00 -0.10 1.09 -1.54 -0.10 0.00 0.00 175.22 174.58 3ijx s SER 103 N 0.32 2.44 0.86 1.36 1.04 -0.20 -4.93 113.70 114.60 3ijx s SER 103 Ca -0.07 1.80 -0.13 0.00 0.48 0.00 0.00 55.95 58.03 3ijx s SER 103 Cb -0.15 -2.40 0.06 0.00 0.10 0.00 0.00 66.02 63.63 3ijx s SER 103 CO 0.04 -3.33 0.80 0.29 0.98 0.00 0.00 173.24 172.02 3ijx n LYS 104 N -4.36 -0.07 -1.63 4.02 4.76 -1.26 -4.42 118.16 115.20 3ijx n LYS 104 Ca 0.08 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.14 3ijx n LYS 104 Cb 0.53 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3ijx n LYS 104 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3ijx n PRO 105 N -2.46 1.53 -0.00 1.97 -0.02 -1.26 -4.54 135.00 130.23 3ijx n PRO 105 Ca 0.10 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.17 3ijx n PRO 105 Cb 0.52 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 3ijx n PRO 105 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3ijx n PHE 106 N -0.16 0.00 -3.68 6.00 1.16 -0.07 -4.97 117.46 115.74 3ijx n PHE 106 Ca 0.08 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.53 3ijx n PHE 106 Cb 0.37 -0.03 -0.09 0.00 -1.61 0.00 0.00 39.48 38.12 3ijx n PHE 106 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 3ijx s MET 107 N -2.00 0.66 0.29 3.97 0.00 -1.25 -5.00 119.30 115.97 3ijx s MET 107 Ca 0.02 0.70 -0.09 0.00 0.00 0.00 0.00 55.69 56.32 3ijx s MET 107 Cb 0.07 0.32 -0.07 0.00 0.00 0.00 0.00 34.83 35.15 3ijx s MET 107 CO 0.39 -0.09 0.61 0.45 0.00 0.00 0.00 175.02 176.38 3ijx s SER 108 N 0.15 6.59 0.08 1.11 0.15 -1.26 -1.56 113.70 118.95 3ijx s SER 108 Ca -0.01 0.96 -0.27 0.00 0.70 0.00 0.00 55.95 57.32 3ijx s SER 108 Cb -0.04 -2.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.12 3ijx s SER 108 CO 0.01 -0.17 1.05 -1.48 1.20 0.00 0.00 173.24 173.85 3ijx s LEU 109 N -3.18 -0.16 0.21 3.45 -0.00 0.11 -4.85 118.68 114.25 3ijx s LEU 109 Ca 0.48 -0.27 -0.06 0.00 -0.00 0.00 0.00 54.13 54.27 3ijx s LEU 109 Cb -0.11 1.90 -0.02 0.00 -0.00 0.00 0.00 46.19 47.96 3ijx s LEU 109 CO 0.24 -0.68 0.28 -0.83 -0.00 0.00 0.00 176.35 175.36 3ijx s GLY 110 N -2.87 0.97 -0.05 -3.48 0.00 -1.26 0.26 107.32 100.89 3ijx s GLY 110 Ca 0.12 -1.29 -0.26 0.00 0.00 0.00 0.00 44.72 43.29 3ijx s GLY 110 CO -0.01 -1.04 0.83 -0.42 0.00 0.00 0.00 173.10 172.46 3ijx s ILE 111 N -4.08 4.96 0.23 0.90 1.01 -1.25 -0.02 121.20 122.95 3ijx s ILE 111 Ca 0.30 1.71 0.03 0.00 0.00 0.00 0.00 60.65 62.69 3ijx s ILE 111 Cb 0.04 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 3ijx s ILE 111 CO 0.09 0.19 0.00 -0.94 0.00 0.00 0.00 174.94 174.29 3ijx s SER 112 N 0.91 1.71 -0.12 3.58 1.04 0.10 0.34 113.70 121.26 3ijx s SER 112 Ca 0.43 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.59 3ijx s SER 112 Cb -0.19 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 65.93 3ijx s SER 112 CO 0.21 -0.54 0.04 -0.63 0.98 0.00 0.00 173.24 173.30 3ijx s ILE 113 N -3.47 4.58 -0.08 -1.02 1.01 -1.26 -1.40 121.20 119.57 3ijx s ILE 113 Ca 0.29 -0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.84 3ijx s ILE 113 Cb 0.06 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 3ijx s ILE 113 CO 0.08 0.56 -0.17 -0.32 0.00 0.00 0.00 174.94 175.10 3ijx s MET 114 N -0.44 2.80 0.16 2.79 -2.45 -0.19 -2.24 119.30 119.71 3ijx s MET 114 Ca 0.09 -0.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.79 3ijx s MET 114 Cb -0.12 -2.40 -0.04 0.00 1.25 0.00 0.00 34.83 33.51 3ijx s MET 114 CO 0.02 0.43 0.02 0.96 1.05 0.00 0.00 175.02 177.50 3ijx s ILE 115 N -0.24 0.50 0.33 10.11 -4.36 -0.95 -1.48 121.20 125.10 3ijx s ILE 115 Ca 0.00 -1.95 -0.27 0.00 -0.26 0.00 0.00 60.65 58.17 3ijx s ILE 115 Cb -0.13 -2.07 -0.09 0.00 1.25 0.00 0.00 42.46 41.42 3ijx s ILE 115 CO 0.03 -0.50 1.10 -0.75 0.24 0.00 0.00 174.94 175.07 3ijx s LYS 116 N -3.95 4.43 0.18 0.37 2.20 -1.26 -1.11 119.74 120.59 3ijx s LYS 116 Ca 0.23 1.75 -0.33 0.00 -0.36 0.00 0.00 55.97 57.26 3ijx s LYS 116 Cb 0.07 -2.95 -0.14 0.00 -1.51 0.00 0.00 37.83 33.30 3ijx s LYS 116 CO 0.03 0.04 1.45 1.63 -0.36 0.00 0.00 175.35 178.13 3ijx n LYS 117 N 0.70 1.89 0.00 4.03 5.02 0.35 -2.13 118.16 128.02 3ijx n LYS 117 Ca 0.01 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3ijx n LYS 117 Cb 0.46 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.11 3ijx n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijx n GLY 118 N 2.69 1.54 3.73 0.72 0.00 -1.26 -5.03 105.19 107.59 3ijx n GLY 118 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3ijx n GLY 118 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ijx s THR 119 N -2.31 2.81 -0.54 2.61 2.01 -0.91 -4.86 115.64 114.46 3ijx s THR 119 Ca 0.00 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 62.59 3ijx s THR 119 Cb 0.00 -3.41 -0.14 0.00 0.01 0.00 0.00 72.50 68.96 3ijx s THR 119 CO 0.00 0.08 2.65 -2.65 -0.69 0.00 0.00 174.62 174.02 3ijx n PRO 120 N 2.92 2.05 -4.65 4.92 -0.02 -1.26 -4.82 135.00 134.13 3ijx n PRO 120 Ca 0.09 -1.20 -0.24 0.00 -2.02 0.00 0.00 63.50 60.14 3ijx n PRO 120 Cb 0.40 -2.19 -0.15 0.00 -0.02 0.00 0.00 33.50 31.55 3ijx n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3ijx s ILE 121 N 2.14 1.35 0.00 4.25 -1.09 -1.26 -5.03 121.20 121.56 3ijx s ILE 121 Ca 0.51 -0.89 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 3ijx s ILE 121 Cb 0.19 -1.16 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 3ijx s ILE 121 CO -0.02 0.25 0.00 -0.62 -1.23 0.00 0.00 174.94 173.32 3ijx n GLU 122 N 2.30 2.82 -4.08 2.79 1.02 -1.26 -4.92 120.64 119.30 3ijx n GLU 122 Ca -0.16 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.86 3ijx n GLU 122 Cb 0.54 -0.88 -0.06 0.00 -0.02 0.00 0.00 31.44 31.02 3ijx n GLU 122 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3ijx s SER 123 N -2.38 0.35 0.46 1.62 1.04 -1.26 -3.02 113.70 110.50 3ijx s SER 123 Ca 0.00 -1.24 0.15 0.00 0.48 0.00 0.00 55.95 55.34 3ijx s SER 123 Cb 0.00 0.56 1.04 0.00 0.10 0.00 0.00 66.02 67.72 3ijx s SER 123 CO 0.00 -1.12 2.01 0.00 0.98 0.00 0.00 173.24 175.10 3ijx h ALA 124 N 2.29 1.70 -0.26 5.32 0.00 -1.94 -2.70 119.26 123.67 3ijx h ALA 124 Ca -0.29 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.28 3ijx h ALA 124 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ijx h ALA 124 CO 0.41 0.21 -0.58 1.05 0.00 0.00 0.00 179.25 180.33 3ijx h GLU 125 N 0.00 0.85 -0.84 0.00 -0.00 -1.95 -2.48 114.58 110.16 3ijx h GLU 125 Ca -0.00 -0.56 0.06 0.00 -0.00 0.00 0.00 59.36 58.86 3ijx h GLU 125 Cb 0.30 0.07 -0.05 0.00 -0.00 0.00 0.00 28.75 29.07 3ijx h GLU 125 CO 0.02 1.19 0.55 -0.44 -0.00 0.00 0.00 179.01 180.33 3ijx h ASP 126 N 0.64 0.83 -0.36 3.06 5.19 -1.88 -1.72 116.42 122.18 3ijx h ASP 126 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 3ijx h ASP 126 Cb 1.19 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 3ijx h ASP 126 CO 0.13 0.54 0.11 -0.07 -3.12 0.00 0.00 179.24 176.83 3ijx h LEU 127 N 0.95 0.53 -0.83 1.55 3.38 -1.34 -2.91 115.31 116.63 3ijx h LEU 127 Ca 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3ijx h LEU 127 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ijx h LEU 127 CO -0.12 0.60 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 3ijx n SER 128 N -4.63 0.55 -1.77 -0.43 3.41 -0.70 -2.88 113.62 107.17 3ijx n SER 128 Ca -0.01 0.67 0.07 0.00 -0.26 0.00 0.00 58.87 59.34 3ijx n SER 128 Cb 0.17 -0.78 0.38 0.00 -0.26 0.00 0.00 64.21 63.73 3ijx n SER 128 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3ijx n LYS 129 N -2.15 4.50 -3.81 4.33 5.02 -0.88 -4.97 118.16 120.20 3ijx n LYS 129 Ca 0.01 -2.95 -0.05 0.00 -2.02 0.00 0.00 58.31 53.30 3ijx n LYS 129 Cb 0.16 -2.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.00 3ijx n LYS 129 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3ijx s GLN 130 N -2.50 1.52 0.00 1.97 1.03 -1.14 -5.07 119.66 115.47 3ijx s GLN 130 Ca 0.51 -0.87 0.00 0.00 0.04 0.00 0.00 55.36 55.04 3ijx s GLN 130 Cb 0.38 0.49 0.00 0.00 0.03 0.00 0.00 33.01 33.91 3ijx s GLN 130 CO 0.17 -0.70 0.00 2.41 -2.54 0.00 0.00 175.29 174.63 3ijx n THR 131 N -0.50 0.00 -0.02 3.63 -1.04 -1.26 -4.83 114.28 110.26 3ijx n THR 131 Ca -0.05 -0.08 -0.09 0.00 -2.04 0.00 0.00 64.05 61.78 3ijx n THR 131 Cb 0.60 0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 69.69 3ijx n THR 131 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 3ijx h GLU 132 N 0.00 -0.04 -5.63 -2.82 9.09 -1.97 -3.39 114.58 109.83 3ijx h GLU 132 Ca 0.00 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.82 3ijx h GLU 132 Cb 0.00 0.01 -0.10 0.00 -1.65 0.00 0.00 28.75 27.01 3ijx h GLU 132 CO 0.00 -0.02 0.13 0.42 0.05 0.00 0.00 179.01 179.59 3ijx s ILE 133 N -6.19 5.01 0.29 -1.06 1.01 -1.26 -4.93 121.20 114.06 3ijx s ILE 133 Ca -0.14 1.18 -0.15 0.00 0.00 0.00 0.00 60.65 61.54 3ijx s ILE 133 Cb 0.10 -3.94 -0.09 0.00 0.01 0.00 0.00 42.46 38.54 3ijx s ILE 133 CO 0.68 0.09 0.70 0.00 0.00 0.00 0.00 174.94 176.41 3ijx s ALA 134 N 2.03 3.37 -0.02 9.38 0.00 0.52 -4.90 121.76 132.15 3ijx s ALA 134 Ca 0.28 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 3ijx s ALA 134 Cb -0.16 -2.72 0.02 0.00 0.00 0.00 0.00 23.12 20.26 3ijx s ALA 134 CO 0.10 0.36 0.04 1.52 0.00 0.00 0.00 175.76 177.78 3ijx s TYR 135 N -1.89 -0.01 0.06 0.00 1.13 -1.26 0.30 117.35 115.68 3ijx s TYR 135 Ca 0.51 0.13 0.01 0.00 -1.41 0.00 0.00 57.07 56.31 3ijx s TYR 135 Cb -0.11 -0.11 -0.00 0.00 -1.10 0.00 0.00 41.96 40.64 3ijx s TYR 135 CO 0.18 -0.06 0.04 0.41 -2.51 0.00 0.00 175.55 173.62 3ijx n GLY 136 N 3.65 3.86 3.30 5.49 0.00 -1.04 -4.84 105.19 115.61 3ijx n GLY 136 Ca -0.20 -1.73 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 3ijx n GLY 136 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ijx s THR 137 N -2.17 0.05 0.30 2.61 -4.23 -1.24 -1.40 115.64 109.56 3ijx s THR 137 Ca 0.06 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 3ijx s THR 137 Cb 0.00 -2.12 -0.12 0.00 1.34 0.00 0.00 72.50 71.60 3ijx s THR 137 CO 0.04 -0.21 1.41 -0.11 -0.54 0.00 0.00 174.62 175.22 3ijx n LEU 138 N -0.23 3.69 -4.81 4.79 7.94 -1.26 -2.02 117.00 125.10 3ijx n LEU 138 Ca -0.04 1.18 -0.33 0.00 -1.11 0.00 0.00 56.01 55.71 3ijx n LEU 138 Cb 0.64 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 43.03 3ijx n LEU 138 CO 0.28 -0.29 0.68 -0.62 -1.11 0.00 0.00 177.39 176.32 3ijx s ASP 139 N 0.07 6.69 -1.75 1.96 3.68 1.00 -4.10 116.67 124.22 3ijx s ASP 139 Ca 0.61 1.79 -0.00 0.00 2.13 0.00 0.00 52.55 57.08 3ijx s ASP 139 Cb -0.57 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.35 3ijx s ASP 139 CO 0.55 -0.54 0.07 -1.20 0.13 0.00 0.00 175.17 174.18 3ijx n SER 140 N -0.76 -5.92 -4.55 -0.34 7.64 -1.26 -4.84 113.62 103.58 3ijx n SER 140 Ca 0.08 -0.05 -0.25 0.00 1.01 0.00 0.00 58.87 59.66 3ijx n SER 140 Cb 0.53 -4.90 -0.11 0.00 -1.01 0.00 0.00 64.21 58.72 3ijx n SER 140 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3ijx s GLY 141 N -2.13 2.34 0.31 0.23 0.00 -1.26 -2.38 107.32 104.43 3ijx s GLY 141 Ca 0.03 -2.21 0.05 0.00 0.00 0.00 0.00 44.72 42.59 3ijx s GLY 141 CO 0.04 -1.99 1.83 1.76 0.00 0.00 0.00 173.10 174.74 3ijx h SER 142 N 1.91 0.81 0.25 1.64 0.02 -1.91 -2.83 113.55 113.43 3ijx h SER 142 Ca -0.43 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 3ijx h SER 142 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3ijx h SER 142 CO 0.76 0.39 -0.12 0.74 -1.14 0.00 0.00 176.83 177.46 3ijx h THR 143 N 0.84 0.81 -0.65 -2.27 2.02 -1.96 -0.84 112.91 110.86 3ijx h THR 143 Ca 0.50 -0.57 0.13 0.00 0.77 0.00 0.00 66.41 67.24 3ijx h THR 143 Cb 0.67 1.12 -0.10 0.00 -1.74 0.00 0.00 68.15 68.11 3ijx h THR 143 CO -0.27 0.12 0.11 0.50 0.37 0.00 0.00 175.52 176.35 3ijx h LYS 144 N -0.64 0.22 -0.88 6.66 3.64 -1.69 -0.23 116.57 123.66 3ijx h LYS 144 Ca -0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 3ijx h LYS 144 Cb 0.45 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 3ijx h LYS 144 CO 0.06 0.14 0.47 0.93 -2.27 0.00 0.00 179.45 178.78 3ijx h GLU 145 N 0.22 1.24 -0.63 1.90 4.39 -1.38 -2.26 114.58 118.07 3ijx h GLU 145 Ca 0.35 -0.15 0.13 0.00 0.34 0.00 0.00 59.36 60.02 3ijx h GLU 145 Cb 0.55 -0.24 -0.11 0.00 -0.10 0.00 0.00 28.75 28.86 3ijx h GLU 145 CO -0.47 0.92 -0.05 0.35 -1.16 0.00 0.00 179.01 178.60 3ijx h PHE 146 N 1.24 -0.13 -0.20 4.33 3.57 0.46 -1.66 116.94 124.54 3ijx h PHE 146 Ca 0.31 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.73 3ijx h PHE 146 Cb 0.05 0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3ijx h PHE 146 CO 0.01 -0.20 -0.38 0.74 -2.23 0.00 0.00 178.31 176.25 3ijx h PHE 147 N 0.08 0.77 -0.11 0.41 0.04 -1.27 -1.44 116.94 115.42 3ijx h PHE 147 Ca 0.32 -0.27 0.03 0.00 2.80 0.00 0.00 57.97 60.85 3ijx h PHE 147 Cb 0.52 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 3ijx h PHE 147 CO -0.41 1.02 0.23 -0.09 -0.60 0.00 0.00 178.31 178.46 3ijx h ARG 148 N 0.29 0.00 -0.00 1.51 2.43 -0.80 -2.63 114.38 115.18 3ijx h ARG 148 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ijx h ARG 148 Cb 0.97 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 3ijx h ARG 148 CO 0.08 0.00 -0.03 0.54 -1.51 0.00 0.00 179.97 179.06 3ijx n ARG 149 N -3.33 1.30 -2.75 0.20 1.74 -0.69 -5.03 116.66 108.11 3ijx n ARG 149 Ca 0.00 -0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 56.22 3ijx n ARG 149 Cb 0.32 -0.92 -0.05 0.00 -1.02 0.00 0.00 32.46 30.80 3ijx n ARG 149 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3ijx s SER 150 N -0.47 7.53 -0.09 0.55 0.15 -0.56 -4.95 113.70 115.87 3ijx s SER 150 Ca 0.02 1.82 0.16 0.00 0.70 0.00 0.00 55.95 58.65 3ijx s SER 150 Cb 0.02 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.30 3ijx s SER 150 CO 0.04 0.02 1.48 0.29 1.20 0.00 0.00 173.24 176.27 3ijx n LYS 151 N 2.34 3.29 -2.91 5.44 4.76 -1.26 -4.34 118.16 125.49 3ijx n LYS 151 Ca 0.01 -2.64 -0.40 0.00 -2.87 0.00 0.00 58.31 52.40 3ijx n LYS 151 Cb 0.49 -1.70 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 3ijx n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijx s ILE 152 N -1.79 4.67 0.16 -0.18 1.09 -1.26 -4.94 121.20 118.94 3ijx s ILE 152 Ca 0.41 1.75 -0.28 0.00 -1.10 0.00 0.00 60.65 61.43 3ijx s ILE 152 Cb 0.27 -4.17 -0.05 0.00 -1.06 0.00 0.00 42.46 37.45 3ijx s ILE 152 CO 0.19 0.35 1.45 0.00 -0.10 0.00 0.00 174.94 176.83 3ijx n ALA 153 N 2.81 -0.57 -0.01 9.38 0.00 -1.26 -1.54 120.51 129.31 3ijx n ALA 153 Ca -0.01 0.81 -0.01 0.00 0.00 0.00 0.00 53.44 54.23 3ijx n ALA 153 Cb 0.50 -0.15 0.28 0.00 0.00 0.00 0.00 19.45 20.08 3ijx n ALA 153 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ijx h VAL 154 N 0.00 1.21 0.07 0.00 2.07 -1.99 -2.90 116.25 114.70 3ijx h VAL 154 Ca 0.16 -0.85 -0.25 0.00 0.82 0.00 0.00 66.70 66.58 3ijx h VAL 154 Cb 0.40 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3ijx h VAL 154 CO -0.89 0.29 -1.09 -0.26 0.02 0.00 0.00 177.57 175.64 3ijx h PHE 155 N 0.51 0.51 -0.13 1.57 0.04 -1.66 -2.62 116.94 115.15 3ijx h PHE 155 Ca 0.11 -0.33 -0.10 0.00 2.80 0.00 0.00 57.97 60.45 3ijx h PHE 155 Cb 0.37 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 3ijx h PHE 155 CO 0.01 1.20 -0.36 0.22 -0.60 0.00 0.00 178.31 178.79 3ijx h ASP 156 N 0.13 0.28 0.39 2.17 3.58 -1.19 0.88 116.42 122.67 3ijx h ASP 156 Ca -0.10 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.08 3ijx h ASP 156 Cb 1.78 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.74 3ijx h ASP 156 CO 0.18 0.63 -0.68 0.11 -2.88 0.00 0.00 179.24 176.59 3ijx h LYS 157 N 0.24 0.26 -0.23 0.28 1.79 -1.54 0.13 116.57 117.50 3ijx h LYS 157 Ca 0.03 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 3ijx h LYS 157 Cb 0.74 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 3ijx h LYS 157 CO 0.06 0.84 -0.02 0.52 -1.08 0.00 0.00 179.45 179.77 3ijx h MET 158 N 0.18 0.42 -0.59 3.15 2.86 -1.13 -2.56 114.93 117.27 3ijx h MET 158 Ca -0.02 -0.15 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3ijx h MET 158 Cb 1.22 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.82 3ijx h MET 158 CO 0.11 0.63 0.30 2.35 1.06 0.00 0.00 176.91 181.35 3ijx h TRP 159 N 0.18 0.83 -0.61 -0.22 2.91 -0.64 -1.41 115.95 116.99 3ijx h TRP 159 Ca 0.06 -0.03 0.08 0.00 1.13 0.00 0.00 58.89 60.13 3ijx h TRP 159 Cb 0.45 -0.26 -0.07 0.00 -0.51 0.00 0.00 29.16 28.77 3ijx h TRP 159 CO 0.04 0.63 0.27 1.15 -1.03 0.00 0.00 178.44 179.50 3ijx h THR 160 N 0.80 0.84 -0.15 2.65 2.02 -0.71 0.72 112.91 119.07 3ijx h THR 160 Ca 0.20 -0.17 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 3ijx h THR 160 Cb 0.09 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3ijx h THR 160 CO -0.03 0.09 -0.36 0.22 0.37 0.00 0.00 175.52 175.81 3ijx h TYR 161 N 0.48 0.37 0.11 3.16 3.20 -1.00 -3.23 116.97 120.06 3ijx h TYR 161 Ca 0.30 -0.09 -0.29 0.00 3.14 0.00 0.00 58.73 61.78 3ijx h TYR 161 Cb 0.31 -0.09 0.03 0.00 1.54 0.00 0.00 36.73 38.53 3ijx h TYR 161 CO -0.14 0.65 -1.23 0.52 -1.64 0.00 0.00 178.16 176.33 3ijx h MET 162 N 0.28 0.60 0.00 1.82 2.86 -0.36 -2.75 114.93 117.37 3ijx h MET 162 Ca 0.03 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 3ijx h MET 162 Cb 0.77 0.26 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3ijx h MET 162 CO 0.06 1.36 0.00 0.07 1.06 0.00 0.00 176.91 179.46 3ijx h ARG 163 N 0.27 0.00 0.00 1.72 0.11 -0.93 -3.02 114.38 112.53 3ijx h ARG 163 Ca -0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.90 3ijx h ARG 163 Cb 1.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.98 3ijx h ARG 163 CO 0.23 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.73 3ijx n SER 164 N -2.51 1.77 -4.79 0.08 7.64 -1.22 -5.06 113.62 109.54 3ijx n SER 164 Ca 0.02 -1.82 -0.37 0.00 1.01 0.00 0.00 58.87 57.71 3ijx n SER 164 Cb 0.26 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.39 3ijx n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ijx s ALA 165 N -0.82 3.29 -0.03 -0.43 0.00 -1.04 -5.07 121.76 117.65 3ijx s ALA 165 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 3ijx s ALA 165 Cb 0.00 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.06 3ijx s ALA 165 CO 0.00 0.22 0.07 -1.21 0.00 0.00 0.00 175.76 174.84 3ijx s GLU 166 N -1.89 0.02 0.64 0.00 0.41 -1.26 -3.49 118.70 113.13 3ijx s GLU 166 Ca 0.47 0.22 -0.17 0.00 -0.41 0.00 0.00 54.97 55.07 3ijx s GLU 166 Cb -0.19 -0.16 -0.01 0.00 -1.78 0.00 0.00 34.13 31.99 3ijx s GLU 166 CO 0.24 -0.13 1.19 -2.14 -0.49 0.00 0.00 175.26 173.93 3ijx s PRO 167 N 0.85 2.75 0.07 0.39 0.02 -1.26 -5.06 135.00 132.76 3ijx s PRO 167 Ca -0.07 1.72 -0.33 0.00 0.02 0.00 0.00 61.00 62.35 3ijx s PRO 167 Cb -0.09 -1.91 -0.17 0.00 0.02 0.00 0.00 34.50 32.34 3ijx s PRO 167 CO -0.03 -1.36 0.79 0.45 -0.33 0.00 0.00 177.00 176.52 3ijx n SER 168 N -2.01 -0.46 -0.13 2.53 2.88 -1.23 -4.85 113.62 110.36 3ijx n SER 168 Ca 0.13 1.06 0.13 0.00 -1.33 0.00 0.00 58.87 58.85 3ijx n SER 168 Cb 0.50 -0.86 0.37 0.00 -0.75 0.00 0.00 64.21 63.48 3ijx n SER 168 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3ijx n VAL 169 N 0.84 0.00 -2.75 2.46 0.24 -1.26 -4.93 118.33 112.93 3ijx n VAL 169 Ca 0.18 -0.07 -0.32 0.00 -2.04 0.00 0.00 64.34 62.09 3ijx n VAL 169 Cb 0.13 0.24 -0.04 0.00 -1.47 0.00 0.00 33.84 32.70 3ijx n VAL 169 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 3ijx s PHE 170 N -2.70 3.42 0.12 6.34 0.08 -1.26 -3.69 117.98 120.29 3ijx s PHE 170 Ca 0.20 1.31 0.05 0.00 0.12 0.00 0.00 56.93 58.60 3ijx s PHE 170 Cb 0.19 -2.64 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3ijx s PHE 170 CO 0.58 -0.16 -0.12 0.14 -0.10 0.00 0.00 175.22 175.57 3ijx s VAL 171 N -2.35 1.13 -0.13 -0.44 -7.23 -0.86 -4.95 120.40 105.57 3ijx s VAL 171 Ca 0.56 -1.75 0.18 0.00 -1.81 0.00 0.00 61.98 59.16 3ijx s VAL 171 Cb -0.10 -1.52 -0.18 0.00 0.56 0.00 0.00 36.38 35.14 3ijx s VAL 171 CO 0.26 -0.55 0.66 -2.11 -0.31 0.00 0.00 175.10 173.05 3ijx n ARG 172 N 0.40 0.64 -4.02 4.82 0.00 -1.26 -0.00 116.66 117.23 3ijx n ARG 172 Ca -0.15 0.11 -0.11 0.00 -0.00 0.00 0.00 57.85 57.70 3ijx n ARG 172 Cb 0.58 -1.71 -0.12 0.00 -0.00 0.00 0.00 32.46 31.21 3ijx n ARG 172 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3ijx s THR 173 N -2.98 0.30 0.33 8.89 -4.23 -1.26 -4.76 115.64 111.93 3ijx s THR 173 Ca -0.05 -0.88 0.09 0.00 -1.18 0.00 0.00 61.69 59.67 3ijx s THR 173 Cb 0.09 -0.39 0.32 0.00 1.34 0.00 0.00 72.50 73.86 3ijx s THR 173 CO 0.83 -0.38 1.79 0.74 -0.54 0.00 0.00 174.62 177.06 3ijx h THR 174 N 4.64 0.70 -0.84 3.99 2.02 -1.95 0.31 112.91 121.77 3ijx h THR 174 Ca -0.33 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3ijx h THR 174 Cb 1.21 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.52 3ijx h THR 174 CO 0.42 0.12 0.54 0.00 0.37 0.00 0.00 175.52 176.98 3ijx h ALA 175 N 1.63 1.10 -0.12 6.16 0.00 -1.96 -1.12 119.26 124.96 3ijx h ALA 175 Ca 0.56 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 3ijx h ALA 175 Cb 0.98 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3ijx h ALA 175 CO -0.34 0.39 0.04 1.49 0.00 0.00 0.00 179.25 180.83 3ijx h GLU 176 N 1.07 0.18 -0.84 0.00 4.81 -1.37 -1.34 114.58 117.08 3ijx h GLU 176 Ca 0.33 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.68 3ijx h GLU 176 Cb -0.01 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 29.24 3ijx h GLU 176 CO -0.11 0.33 0.41 0.78 -0.73 0.00 0.00 179.01 179.69 3ijx h GLY 177 N 0.00 1.37 0.69 1.92 0.00 -0.96 -0.52 103.07 105.57 3ijx h GLY 177 Ca 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 3ijx h GLY 177 CO -0.00 -0.08 -0.04 -2.08 0.00 0.00 0.00 176.54 174.33 3ijx h VAL 178 N 0.56 1.08 -0.75 4.60 2.07 -0.82 -2.54 116.25 120.46 3ijx h VAL 178 Ca 0.47 -0.68 0.17 0.00 0.82 0.00 0.00 66.70 67.47 3ijx h VAL 178 Cb 0.72 1.52 -0.11 0.00 -1.52 0.00 0.00 31.29 31.89 3ijx h VAL 178 CO -0.40 0.17 0.18 0.00 0.02 0.00 0.00 177.57 177.54 3ijx h ALA 179 N 0.43 0.98 -0.48 1.67 0.00 -0.66 -1.15 119.26 120.04 3ijx h ALA 179 Ca -0.01 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3ijx h ALA 179 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3ijx h ALA 179 CO 0.02 -0.35 0.32 -0.09 0.00 0.00 0.00 179.25 179.15 3ijx h ARG 180 N 0.26 0.64 -0.29 0.00 2.43 -0.93 -0.38 114.38 116.12 3ijx h ARG 180 Ca 0.43 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.62 3ijx h ARG 180 Cb 0.74 -0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 30.08 3ijx h ARG 180 CO -0.53 0.43 -0.16 0.28 -1.51 0.00 0.00 179.97 178.49 3ijx h VAL 181 N 0.66 0.53 -0.29 0.20 2.07 -0.81 -1.30 116.25 117.31 3ijx h VAL 181 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 3ijx h VAL 181 Cb -0.06 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3ijx h VAL 181 CO -0.04 0.00 0.14 0.03 0.02 0.00 0.00 177.57 177.73 3ijx h ARG 182 N -0.12 0.42 -0.00 1.57 3.08 -1.02 -3.10 114.38 115.20 3ijx h ARG 182 Ca 0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3ijx h ARG 182 Cb 0.35 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.32 3ijx h ARG 182 CO -0.36 0.40 -0.03 1.63 -1.07 0.00 0.00 179.97 180.53 3ijx n LYS 183 N -4.79 0.62 -0.23 0.04 5.02 -0.19 -3.62 118.16 115.01 3ijx n LYS 183 Ca -0.02 -0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.30 3ijx n LYS 183 Cb 0.10 -1.50 0.26 0.00 -0.02 0.00 0.00 35.03 33.87 3ijx n LYS 183 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3ijx n SER 184 N -1.12 3.27 -3.43 4.39 7.64 -0.51 -4.95 113.62 118.91 3ijx n SER 184 Ca 0.16 -1.96 -0.25 0.00 1.01 0.00 0.00 58.87 57.83 3ijx n SER 184 Cb 0.23 -0.31 0.01 0.00 -1.01 0.00 0.00 64.21 63.13 3ijx n SER 184 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3ijx n LYS 185 N 1.33 -3.96 -2.04 1.43 5.02 -1.24 -2.13 118.16 116.57 3ijx n LYS 185 Ca 0.20 0.56 -0.00 0.00 -2.02 0.00 0.00 58.31 57.05 3ijx n LYS 185 Cb 0.55 -5.32 -0.00 0.00 -0.02 0.00 0.00 35.03 30.24 3ijx n LYS 185 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijx n GLY 186 N -1.32 0.41 0.00 0.72 0.00 -1.26 -4.93 105.19 98.81 3ijx n GLY 186 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3ijx n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijx n LYS 187 N -0.97 -0.30 -4.31 1.61 4.76 -0.91 -4.91 118.16 113.13 3ijx n LYS 187 Ca -0.00 -0.67 -0.25 0.00 -2.87 0.00 0.00 58.31 54.52 3ijx n LYS 187 Cb 0.50 -1.00 -0.17 0.00 -1.84 0.00 0.00 35.03 32.53 3ijx n LYS 187 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3ijx s TYR 188 N -0.17 1.35 0.15 2.13 5.04 -1.25 -0.36 117.35 124.23 3ijx s TYR 188 Ca 0.00 -0.54 0.07 0.00 -2.44 0.00 0.00 57.07 54.16 3ijx s TYR 188 Cb 0.00 -1.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.22 3ijx s TYR 188 CO 0.00 -0.33 -0.01 0.00 -1.34 0.00 0.00 175.55 173.87 3ijx s ALA 189 N 1.03 3.20 -0.17 3.97 0.00 0.15 -4.53 121.76 125.41 3ijx s ALA 189 Ca -0.08 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.59 3ijx s ALA 189 Cb -0.15 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 21.97 3ijx s ALA 189 CO -0.00 0.55 -0.15 -0.47 0.00 0.00 0.00 175.76 175.69 3ijx s TYR 190 N -1.57 2.36 -0.40 0.00 5.04 -0.55 -2.50 117.35 119.73 3ijx s TYR 190 Ca 0.26 -1.40 -0.25 0.00 -2.44 0.00 0.00 57.07 53.24 3ijx s TYR 190 Cb -0.10 -1.68 0.02 0.00 0.35 0.00 0.00 41.96 40.55 3ijx s TYR 190 CO 0.18 -0.72 0.90 -0.51 -1.34 0.00 0.00 175.55 174.06 3ijx s LEU 191 N 1.42 4.03 0.31 6.97 1.43 -0.49 -1.02 118.68 131.33 3ijx s LEU 191 Ca 0.04 0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 3ijx s LEU 191 Cb -0.14 -3.19 -0.01 0.00 0.03 0.00 0.00 46.19 42.89 3ijx s LEU 191 CO -0.11 -0.90 0.42 -1.48 0.23 0.00 0.00 176.35 174.51 3ijx s LEU 192 N 3.49 1.03 0.19 1.79 2.34 -0.49 -4.39 118.68 122.63 3ijx s LEU 192 Ca 0.36 -1.44 -0.28 0.00 0.06 0.00 0.00 54.13 52.84 3ijx s LEU 192 Cb -0.12 1.28 -0.08 0.00 -0.56 0.00 0.00 46.19 46.72 3ijx s LEU 192 CO 0.21 -1.20 0.87 -1.61 -1.06 0.00 0.00 176.35 173.55 3ijx s GLU 193 N -3.34 4.71 0.36 1.48 2.02 -1.26 0.02 118.70 122.69 3ijx s GLU 193 Ca 0.32 1.33 0.16 0.00 0.02 0.00 0.00 54.97 56.79 3ijx s GLU 193 Cb 0.01 -3.29 1.07 0.00 0.10 0.00 0.00 34.13 32.02 3ijx s GLU 193 CO 0.19 0.50 1.71 0.66 0.02 0.00 0.00 175.26 178.34 3ijx h SER 194 N 4.43 0.52 0.48 -0.19 4.64 -0.76 -1.19 113.55 121.48 3ijx h SER 194 Ca -0.46 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 3ijx h SER 194 Cb 1.20 0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3ijx h SER 194 CO 0.68 -0.00 -0.29 0.71 -0.87 0.00 0.00 176.83 177.05 3ijx h THR 195 N 0.40 0.40 -0.74 2.95 1.35 -1.89 0.11 112.91 115.49 3ijx h THR 195 Ca 0.68 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 66.56 3ijx h THR 195 Cb 1.59 0.40 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 3ijx h THR 195 CO -0.46 0.00 0.47 0.24 -0.25 0.00 0.00 175.52 175.53 3ijx h MET 196 N -0.74 0.91 0.13 4.72 2.86 -1.59 -2.41 114.93 118.82 3ijx h MET 196 Ca -0.06 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3ijx h MET 196 Cb 0.60 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 3ijx h MET 196 CO 0.06 0.60 -0.16 -0.97 1.06 0.00 0.00 176.91 177.50 3ijx h ASN 197 N 0.94 -0.42 -0.75 1.22 -0.73 -1.12 -1.14 115.58 113.57 3ijx h ASN 197 Ca 0.29 0.05 0.10 0.00 1.87 0.00 0.00 56.30 58.61 3ijx h ASN 197 Cb -0.02 0.15 -0.08 0.00 0.27 0.00 0.00 38.32 38.65 3ijx h ASN 197 CO -0.10 -0.23 0.38 -0.33 -0.37 0.00 0.00 177.43 176.78 3ijx h GLU 198 N -0.33 0.61 0.76 6.67 5.08 -0.52 -0.06 114.58 126.80 3ijx h GLU 198 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3ijx h GLU 198 Cb 0.33 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.45 3ijx h GLU 198 CO -0.06 0.40 -0.37 -0.92 -1.00 0.00 0.00 179.01 177.06 3ijx h TYR 199 N 0.63 -0.97 -0.57 4.33 3.20 -1.19 -3.09 116.97 119.31 3ijx h TYR 199 Ca 0.38 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.34 3ijx h TYR 199 Cb 0.43 0.32 -0.09 0.00 1.54 0.00 0.00 36.73 38.93 3ijx h TYR 199 CO -0.10 -0.60 0.04 0.82 -1.64 0.00 0.00 178.16 176.68 3ijx h ILE 200 N -1.03 0.58 -1.06 1.81 1.08 -0.78 -1.56 117.51 116.55 3ijx h ILE 200 Ca -0.10 -0.05 0.28 0.00 -0.39 0.00 0.00 64.86 64.59 3ijx h ILE 200 Cb 0.79 0.41 -0.10 0.00 -3.07 0.00 0.00 36.82 34.85 3ijx h ILE 200 CO 0.17 0.03 0.67 -0.08 -0.69 0.00 0.00 178.15 178.25 3ijx h GLU 201 N 0.16 0.38 -0.68 2.37 4.81 -0.94 -0.47 114.58 120.20 3ijx h GLU 201 Ca 0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 3ijx h GLU 201 Cb 0.46 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ijx h GLU 201 CO -0.45 0.25 0.00 1.04 -0.73 0.00 0.00 179.01 179.12 3ijx n GLN 202 N -4.67 3.82 -4.64 1.92 1.13 -0.59 -4.74 117.38 109.61 3ijx n GLN 202 Ca 0.27 -2.32 -0.30 0.00 -1.94 0.00 0.00 57.00 52.71 3ijx n GLN 202 Cb 0.91 -2.04 -0.13 0.00 0.11 0.00 0.00 30.24 29.09 3ijx n GLN 202 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3ijx s ARG 203 N -2.25 1.85 0.43 -1.09 1.81 -0.19 -1.29 118.95 118.22 3ijx s ARG 203 Ca 0.40 -1.10 -0.24 0.00 -1.72 0.00 0.00 55.73 53.06 3ijx s ARG 203 Cb 0.30 -2.07 -0.10 0.00 -0.45 0.00 0.00 34.95 32.63 3ijx s ARG 203 CO 0.12 0.51 1.10 1.63 -0.68 0.00 0.00 175.30 177.99 3ijx n LYS 204 N 1.41 1.53 -0.15 3.54 5.02 -1.26 -0.76 118.16 127.49 3ijx n LYS 204 Ca -0.17 0.55 0.02 0.00 -2.02 0.00 0.00 58.31 56.69 3ijx n LYS 204 Cb 0.52 -2.17 0.08 0.00 -0.02 0.00 0.00 35.03 33.44 3ijx n LYS 204 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3ijx n PRO 205 N 0.05 1.64 -3.49 1.97 -0.02 -1.26 -4.98 135.00 128.91 3ijx n PRO 205 Ca 0.09 -0.63 -0.26 0.00 -2.02 0.00 0.00 63.50 60.68 3ijx n PRO 205 Cb 0.40 -1.45 0.03 0.00 -0.02 0.00 0.00 33.50 32.46 3ijx n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ijx n ASP 207 N -2.64 1.21 -4.99 0.00 5.68 -1.26 -4.98 116.55 109.56 3ijx n ASP 207 Ca -0.02 -1.10 -0.21 0.00 -0.50 0.00 0.00 54.79 52.96 3ijx n ASP 207 Cb 0.56 0.48 0.03 0.00 -1.14 0.00 0.00 41.12 41.05 3ijx n ASP 207 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3ijx s THR 208 N -1.39 2.13 -0.29 2.12 -4.23 -1.26 -0.49 115.64 112.23 3ijx s THR 208 Ca 0.08 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.29 3ijx s THR 208 Cb 0.08 -2.29 0.14 0.00 1.34 0.00 0.00 72.50 71.78 3ijx s THR 208 CO 0.26 0.00 0.95 -0.32 -0.54 0.00 0.00 174.62 174.97 3ijx s MET 209 N -4.50 0.39 0.33 3.99 1.75 -0.27 -4.64 119.30 116.35 3ijx s MET 209 Ca 0.53 0.74 -0.29 0.00 -1.25 0.00 0.00 55.69 55.43 3ijx s MET 209 Cb -0.05 0.20 -0.10 0.00 2.84 0.00 0.00 34.83 37.71 3ijx s MET 209 CO 0.33 -0.09 1.31 0.21 -0.65 0.00 0.00 175.02 176.13 3ijx s LYS 210 N 1.68 4.35 0.03 4.11 2.20 -1.26 -2.24 119.74 128.61 3ijx s LYS 210 Ca -0.07 2.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.78 3ijx s LYS 210 Cb -0.05 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 3ijx s LYS 210 CO -0.16 -0.20 -0.07 0.14 -0.36 0.00 0.00 175.35 174.70 3ijx s VAL 211 N -1.06 0.49 0.00 4.02 -7.23 -0.95 -4.97 120.40 110.70 3ijx s VAL 211 Ca 0.50 -0.84 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3ijx s VAL 211 Cb -0.40 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.02 3ijx s VAL 211 CO 0.52 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 3ijx n GLY 212 N 1.86 -0.85 0.00 2.32 0.00 -1.17 -4.00 105.19 103.36 3ijx n GLY 212 Ca -0.20 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3ijx n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijx n GLY 213 N 0.00 1.99 3.75 -0.02 0.00 -1.26 -5.00 105.19 104.66 3ijx n GLY 213 Ca 0.00 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 3ijx n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ijx s ASN 214 N -0.99 6.95 0.00 1.61 -0.87 -1.26 -4.70 114.94 115.67 3ijx s ASN 214 Ca 0.00 1.13 0.19 0.00 -1.57 0.00 0.00 52.86 52.61 3ijx s ASN 214 Cb 0.00 -2.36 0.91 0.00 -0.02 0.00 0.00 41.25 39.78 3ijx s ASN 214 CO 0.00 0.07 1.60 0.18 -2.57 0.00 0.00 177.10 176.38 3ijx n LEU 215 N 2.92 0.00 -3.95 0.60 4.32 0.15 -4.86 117.00 116.19 3ijx n LEU 215 Ca -0.06 0.36 0.04 0.00 -0.02 0.00 0.00 56.01 56.33 3ijx n LEU 215 Cb 0.51 -0.36 0.01 0.00 -1.62 0.00 0.00 43.42 41.96 3ijx n LEU 215 CO 0.44 -0.13 1.17 1.51 -1.22 0.00 0.00 177.39 179.16 3ijx s ASP 216 N -2.72 -0.00 -0.01 -1.43 -4.77 -1.26 -4.89 116.67 101.59 3ijx s ASP 216 Ca 0.15 -0.07 0.08 0.00 -3.30 0.00 0.00 52.55 49.41 3ijx s ASP 216 Cb 0.13 0.06 -0.02 0.00 -1.09 0.00 0.00 42.92 41.99 3ijx s ASP 216 CO 0.31 -0.11 -0.26 -0.44 0.70 0.00 0.00 175.17 175.37 3ijx s SER 217 N -3.78 3.01 0.00 2.11 0.01 -1.26 -3.76 113.70 110.03 3ijx s SER 217 Ca 0.29 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.07 3ijx s SER 217 Cb 0.01 -0.33 0.00 0.00 0.21 0.00 0.00 66.02 65.91 3ijx s SER 217 CO -0.03 0.31 0.00 2.29 0.41 0.00 0.00 173.24 176.22 3ijx n LYS 218 N 2.37 0.00 -3.66 12.44 2.85 0.14 -4.97 118.16 127.33 3ijx n LYS 218 Ca -0.16 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.99 3ijx n LYS 218 Cb 0.51 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.84 3ijx n LYS 218 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3ijx s GLY 219 N -1.82 -0.24 -0.07 2.58 0.00 -1.26 0.04 107.32 106.55 3ijx s GLY 219 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 44.72 44.47 3ijx s GLY 219 CO 0.00 -0.29 0.61 -0.19 0.00 0.00 0.00 173.10 173.22 3ijx s TYR 220 N -3.56 3.58 0.21 1.90 2.02 -0.60 -1.55 117.35 119.34 3ijx s TYR 220 Ca 0.02 1.12 0.10 0.00 -0.37 0.00 0.00 57.07 57.94 3ijx s TYR 220 Cb 0.02 -2.68 -0.05 0.00 -0.40 0.00 0.00 41.96 38.85 3ijx s TYR 220 CO -0.10 0.17 -0.20 0.20 -1.57 0.00 0.00 175.55 174.04 3ijx s GLY 221 N 0.54 1.64 -0.27 0.71 0.00 -0.85 -0.89 107.32 108.20 3ijx s GLY 221 Ca 0.32 -1.66 -0.24 0.00 0.00 0.00 0.00 44.72 43.14 3ijx s GLY 221 CO 0.15 -1.72 0.80 -0.42 0.00 0.00 0.00 173.10 171.92 3ijx s ILE 222 N -2.14 4.82 0.17 0.90 1.01 -1.26 -4.52 121.20 120.18 3ijx s ILE 222 Ca 0.22 1.39 -0.05 0.00 0.00 0.00 0.00 60.65 62.20 3ijx s ILE 222 Cb -0.06 -4.12 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 3ijx s ILE 222 CO 0.10 -0.14 0.42 0.00 0.00 0.00 0.00 174.94 175.32 3ijx s ALA 223 N 2.88 3.74 0.03 9.38 0.00 -1.13 -1.03 121.76 135.63 3ijx s ALA 223 Ca 0.33 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.69 3ijx s ALA 223 Cb -0.15 -2.19 -0.00 0.00 0.00 0.00 0.00 23.12 20.78 3ijx s ALA 223 CO 0.10 0.60 0.15 0.95 0.00 0.00 0.00 175.76 177.55 3ijx s THR 224 N -1.73 0.11 0.36 0.00 -4.23 0.10 -1.36 115.64 108.89 3ijx s THR 224 Ca 0.42 -0.90 -0.27 0.00 -1.18 0.00 0.00 61.69 59.75 3ijx s THR 224 Cb -0.12 -0.78 -0.12 0.00 1.34 0.00 0.00 72.50 72.82 3ijx s THR 224 CO 0.25 -0.50 1.32 -2.65 -0.54 0.00 0.00 174.62 172.50 3ijx n PRO 225 N 0.91 2.18 -1.63 3.99 -0.02 -1.26 -0.28 135.00 138.88 3ijx n PRO 225 Ca -0.20 0.76 -0.52 0.00 -2.02 0.00 0.00 63.50 61.52 3ijx n PRO 225 Cb 0.58 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.60 3ijx n PRO 225 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3ijx n LYS 226 N 0.42 1.51 -1.43 -0.52 3.00 -1.26 -1.26 118.16 118.63 3ijx n LYS 226 Ca 0.04 0.53 -0.00 0.00 -0.00 0.00 0.00 58.31 58.88 3ijx n LYS 226 Cb 0.37 -2.40 -0.00 0.00 0.00 0.00 0.00 35.03 33.00 3ijx n LYS 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ijx n GLY 227 N 4.89 0.38 3.84 3.14 0.00 -1.26 -5.00 105.19 111.17 3ijx n GLY 227 Ca 0.29 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 3ijx n GLY 227 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ijx s SER 228 N -3.00 6.05 0.12 1.61 0.15 -0.39 -5.00 113.70 113.25 3ijx s SER 228 Ca 0.00 1.60 -0.07 0.00 0.70 0.00 0.00 55.95 58.18 3ijx s SER 228 Cb 0.00 -2.50 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 3ijx s SER 228 CO 0.00 -0.98 1.30 0.77 1.20 0.00 0.00 173.24 175.53 3ijx h SER 229 N 0.13 0.67 -0.73 5.45 4.64 -1.97 -3.21 113.55 118.53 3ijx h SER 229 Ca -0.45 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 60.41 3ijx h SER 229 Cb 1.20 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 3ijx h SER 229 CO 0.60 1.30 0.48 -0.07 -0.87 0.00 0.00 176.83 178.27 3ijx h LEU 230 N 0.32 0.71 -0.86 5.97 3.38 -1.95 -3.13 115.31 119.75 3ijx h LEU 230 Ca -0.08 -0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.21 3ijx h LEU 230 Cb 1.54 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.98 3ijx h LEU 230 CO 0.17 0.47 0.31 0.61 0.09 0.00 0.00 178.44 180.08 3ijx n GLY 231 N -1.44 -0.83 0.05 0.83 0.00 -1.21 -0.51 105.19 102.08 3ijx n GLY 231 Ca 0.10 0.75 -0.01 0.00 0.00 0.00 0.00 46.02 46.86 3ijx n GLY 231 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3ijx h ASN 232 N 0.00 -0.05 -0.87 1.61 -1.24 -1.77 -2.92 115.58 110.34 3ijx h ASN 232 Ca 0.66 0.00 0.16 0.00 0.71 0.00 0.00 56.30 57.83 3ijx h ASN 232 Cb 1.64 0.01 -0.16 0.00 0.73 0.00 0.00 38.32 40.54 3ijx h ASN 232 CO -0.72 0.28 -0.28 0.00 -1.29 0.00 0.00 177.43 175.43 3ijx h ALA 233 N -1.35 0.39 -0.99 1.57 0.00 -1.63 0.43 119.26 117.68 3ijx h ALA 233 Ca -0.01 0.30 0.13 0.00 0.00 0.00 0.00 54.91 55.34 3ijx h ALA 233 Cb 0.04 0.77 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 3ijx h ALA 233 CO 0.01 -0.49 0.61 0.28 0.00 0.00 0.00 179.25 179.66 3ijx h VAL 234 N -0.02 0.87 0.32 0.00 2.07 -0.92 -0.79 116.25 117.78 3ijx h VAL 234 Ca 0.38 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3ijx h VAL 234 Cb 0.62 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3ijx h VAL 234 CO -0.90 0.17 -0.16 -1.13 0.02 0.00 0.00 177.57 175.57 3ijx h ASN 235 N 0.92 -0.37 -0.97 0.57 -1.24 -0.72 -1.23 115.58 112.55 3ijx h ASN 235 Ca 0.50 -0.17 0.20 0.00 0.71 0.00 0.00 56.30 57.55 3ijx h ASN 235 Cb 0.56 0.10 -0.09 0.00 0.73 0.00 0.00 38.32 39.62 3ijx h ASN 235 CO -0.29 -0.00 0.61 -0.07 -1.29 0.00 0.00 177.43 176.39 3ijx h LEU 236 N -0.78 0.62 -0.12 0.34 3.38 -1.25 -0.33 115.31 117.17 3ijx h LEU 236 Ca -0.04 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ijx h LEU 236 Cb 0.51 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3ijx h LEU 236 CO 0.07 0.23 0.07 0.00 0.09 0.00 0.00 178.44 178.91 3ijx h ALA 237 N 1.62 0.15 -0.24 1.53 0.00 -0.93 0.23 119.26 121.61 3ijx h ALA 237 Ca 0.53 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.45 3ijx h ALA 237 Cb 1.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3ijx h ALA 237 CO -0.29 -0.35 0.09 0.28 0.00 0.00 0.00 179.25 178.98 3ijx h VAL 238 N 0.14 0.95 -0.54 0.00 2.07 0.03 -1.62 116.25 117.27 3ijx h VAL 238 Ca 0.04 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3ijx h VAL 238 Cb 0.00 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3ijx h VAL 238 CO -0.01 0.04 0.31 -0.07 0.02 0.00 0.00 177.57 177.86 3ijx h LEU 239 N 0.21 0.50 0.02 2.57 -0.00 -0.74 -1.04 115.31 116.83 3ijx h LEU 239 Ca 0.11 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 58.02 3ijx h LEU 239 Cb 0.06 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 3ijx h LEU 239 CO -0.10 0.35 -0.43 0.50 -0.00 0.00 0.00 178.44 178.75 3ijx h LYS 240 N 0.62 -0.58 -0.31 1.13 1.63 -0.32 -2.84 116.57 115.89 3ijx h LYS 240 Ca 0.22 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.03 3ijx h LYS 240 Cb 0.05 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 3ijx h LYS 240 CO -0.11 -0.39 0.04 -0.07 -3.45 0.00 0.00 179.45 175.47 3ijx h LEU 241 N -0.60 0.42 -1.38 5.20 3.38 -0.74 -0.87 115.31 120.72 3ijx h LEU 241 Ca 0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3ijx h LEU 241 Cb 0.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3ijx h LEU 241 CO -0.31 0.46 -0.22 -1.28 0.09 0.00 0.00 178.44 177.17 3ijx h SER 242 N 0.45 0.12 0.25 -0.43 0.87 -1.07 -2.68 113.55 111.06 3ijx h SER 242 Ca 0.10 -0.03 -0.34 0.00 -1.23 0.00 0.00 61.79 60.29 3ijx h SER 242 Cb 0.23 -0.03 0.02 0.00 -0.44 0.00 0.00 62.40 62.18 3ijx h SER 242 CO 0.00 0.35 -1.62 -0.33 -0.53 0.00 0.00 176.83 174.71 3ijx h GLU 243 N 0.12 0.45 0.00 2.24 5.08 -0.95 -3.22 114.58 118.29 3ijx h GLU 243 Ca 0.02 -0.76 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 3ijx h GLU 243 Cb 0.47 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3ijx h GLU 243 CO 0.03 1.36 0.00 1.04 -1.00 0.00 0.00 179.01 180.44 3ijx n GLN 244 N -3.63 0.07 0.00 2.33 1.13 -0.79 -4.84 117.38 111.65 3ijx n GLN 244 Ca -0.21 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3ijx n GLN 244 Cb 1.09 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.76 3ijx n GLN 244 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ijx n GLY 245 N -0.61 2.33 0.32 1.08 0.00 -1.07 -4.95 105.19 102.29 3ijx n GLY 245 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.16 3ijx n GLY 245 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ijx h LEU 246 N 0.00 -0.34 -1.42 0.99 5.85 -1.77 0.56 115.31 119.18 3ijx h LEU 246 Ca 0.00 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3ijx h LEU 246 Cb 0.00 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 3ijx h LEU 246 CO 0.00 -0.28 0.28 -0.07 -0.34 0.00 0.00 178.44 178.03 3ijx h LEU 247 N 0.07 0.60 0.03 2.25 3.38 -1.87 0.54 115.31 120.30 3ijx h LEU 247 Ca 0.56 -0.04 -0.27 0.00 0.09 0.00 0.00 57.88 58.22 3ijx h LEU 247 Cb 1.12 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.74 3ijx h LEU 247 CO -0.81 0.48 -1.14 0.44 0.09 0.00 0.00 178.44 177.49 3ijx h ASP 248 N 0.69 0.74 0.25 -0.43 3.45 -0.30 -2.51 116.42 118.30 3ijx h ASP 248 Ca 0.18 -0.66 -0.01 0.00 0.43 0.00 0.00 57.03 56.97 3ijx h ASP 248 Cb 0.00 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.55 3ijx h ASP 248 CO -0.03 1.47 -0.12 0.50 -1.57 0.00 0.00 179.24 179.49 3ijx h LYS 249 N 0.26 -0.32 -0.68 3.56 3.64 -0.46 -2.68 116.57 119.89 3ijx h LYS 249 Ca -0.15 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.39 3ijx h LYS 249 Cb 1.81 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 33.57 3ijx h LYS 249 CO 0.21 -0.08 -0.19 1.25 -2.27 0.00 0.00 179.45 178.37 3ijx h LEU 250 N -0.52 -0.71 -0.97 5.20 5.85 -0.03 -2.26 115.31 121.87 3ijx h LEU 250 Ca -0.03 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3ijx h LEU 250 Cb 0.39 0.45 -0.04 0.00 0.37 0.00 0.00 40.66 41.83 3ijx h LEU 250 CO 0.06 -0.24 0.47 0.50 -0.34 0.00 0.00 178.44 178.88 3ijx h LYS 251 N -0.02 1.19 0.00 1.25 3.64 -1.38 -1.77 116.57 119.48 3ijx h LYS 251 Ca 0.32 -0.14 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 3ijx h LYS 251 Cb 0.51 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3ijx h LYS 251 CO -0.71 0.87 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.30 3ijx h ASN 252 N 1.20 0.00 0.35 4.20 2.35 -1.07 -1.84 115.58 120.77 3ijx h ASN 252 Ca 0.30 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.82 3ijx h ASN 252 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3ijx h ASN 252 CO -0.05 0.13 -0.98 0.50 -1.65 0.00 0.00 177.43 175.38 3ijx h LYS 253 N 0.00 0.41 0.00 0.81 3.64 -0.83 -0.64 116.57 119.95 3ijx h LYS 253 Ca -0.00 -0.46 -0.25 0.00 -1.27 0.00 0.00 60.65 58.67 3ijx h LYS 253 Cb 0.54 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 3ijx h LYS 253 CO 0.02 1.13 -2.07 0.91 -2.27 0.00 0.00 179.45 177.16 3ijx n TRP 254 N -3.73 0.27 -0.06 1.91 7.02 -1.08 -4.06 117.44 117.71 3ijx n TRP 254 Ca -0.07 0.09 -0.21 0.00 -1.02 0.00 0.00 57.50 56.29 3ijx n TRP 254 Cb 0.86 -0.93 -0.13 0.00 -2.42 0.00 0.00 31.31 28.69 3ijx n TRP 254 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 3ijx n TRP 255 N -2.70 0.73 -0.05 -5.99 8.01 -0.71 -4.62 117.44 112.10 3ijx n TRP 255 Ca -0.22 0.18 -0.11 0.00 -1.31 0.00 0.00 57.50 56.04 3ijx n TRP 255 Cb 0.98 -1.09 -0.04 0.00 -2.01 0.00 0.00 31.31 29.14 3ijx n TRP 255 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.69 177.34 3ijx n TYR 256 N -3.56 0.00 0.00 -5.99 4.01 -1.10 -4.24 117.16 106.29 3ijx n TYR 256 Ca -0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.36 3ijx n TYR 256 Cb 0.98 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 3ijx n TYR 256 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3ijx n ASP 257 N -3.46 0.00 -0.29 7.72 8.00 -0.27 -0.83 116.55 127.43 3ijx n ASP 257 Ca -0.21 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.37 3ijx n ASP 257 Cb 0.65 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.90 3ijx n ASP 257 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ijx n LYS 258 N -0.86 2.02 -2.35 -1.24 5.02 -1.26 -5.00 118.16 114.49 3ijx n LYS 258 Ca 0.00 -2.45 -0.33 0.00 -2.02 0.00 0.00 58.31 53.51 3ijx n LYS 258 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.50 3ijx n LYS 258 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3ijx s GLY 259 N -2.26 2.33 0.00 0.72 0.00 -0.01 -4.93 107.32 103.17 3ijx s GLY 259 Ca 0.29 0.49 0.00 0.00 0.00 0.00 0.00 44.72 45.50 3ijx s GLY 259 CO 0.05 0.80 0.18 1.18 0.00 0.00 0.00 173.10 175.31 3ijx n GLU 260 N -1.41 -0.26 0.00 2.90 1.02 -0.41 -5.05 120.64 117.43 3ijx n GLU 260 Ca 0.09 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3ijx n GLU 260 Cb 0.53 -0.66 0.00 0.00 -0.02 0.00 0.00 31.44 31.29 3ijx n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31