#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 3.71 0.07 3.15 2.01 -1.26 -4.68 115.64 118.64 3ijx s THR 5 Ca 0.00 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.85 3ijx s THR 5 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 3ijx s THR 5 CO 0.00 0.04 1.20 -0.69 -0.69 0.00 0.00 174.62 174.48 3ijx s VAL 6 N 1.79 3.99 -0.17 3.82 1.01 -0.23 -4.87 120.40 125.73 3ijx s VAL 6 Ca 0.62 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.83 3ijx s VAL 6 Cb -0.32 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3ijx s VAL 6 CO 0.28 0.12 0.65 -0.69 0.00 0.00 0.00 175.10 175.46 3ijx s VAL 7 N 0.98 5.02 -0.25 2.92 1.01 -1.26 -0.96 120.40 127.85 3ijx s VAL 7 Ca 0.58 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.77 3ijx s VAL 7 Cb -0.30 -3.97 -0.00 0.00 0.00 0.00 0.00 36.38 32.11 3ijx s VAL 7 CO 0.30 0.13 0.02 -0.69 0.00 0.00 0.00 175.10 174.85 3ijx s VAL 8 N 1.73 3.70 0.22 2.92 1.01 -0.22 -1.41 120.40 128.36 3ijx s VAL 8 Ca 0.31 -0.55 -0.03 0.00 0.00 0.00 0.00 61.98 61.70 3ijx s VAL 8 Cb -0.16 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.38 3ijx s VAL 8 CO 0.11 0.27 0.45 0.28 0.00 0.00 0.00 175.10 176.22 3ijx s THR 9 N 1.50 5.12 -0.02 3.92 -1.32 0.68 -0.31 115.64 125.20 3ijx s THR 9 Ca 0.04 -0.09 -0.30 0.00 -1.21 0.00 0.00 61.69 60.13 3ijx s THR 9 Cb -0.16 -3.70 0.12 0.00 -1.51 0.00 0.00 72.50 67.25 3ijx s THR 9 CO -0.00 -0.18 1.25 0.28 -2.21 0.00 0.00 174.62 173.77 3ijx s THR 10 N -1.90 0.00 0.19 5.08 -1.32 -1.11 -2.19 115.64 114.39 3ijx s THR 10 Ca 0.41 -0.23 0.08 0.00 -1.21 0.00 0.00 61.69 60.74 3ijx s THR 10 Cb -0.11 -1.90 -0.05 0.00 -1.51 0.00 0.00 72.50 68.94 3ijx s THR 10 CO 0.28 0.00 -0.15 -0.51 -2.21 0.00 0.00 174.62 172.03 3ijx s ILE 11 N -2.49 1.73 -0.55 5.08 2.07 -1.26 -0.65 121.20 125.13 3ijx s ILE 11 Ca 0.13 -2.12 -0.24 0.00 -1.41 0.00 0.00 60.65 57.02 3ijx s ILE 11 Cb 0.04 -1.97 0.04 0.00 0.13 0.00 0.00 42.46 40.70 3ijx s ILE 11 CO -0.04 -0.53 0.91 -0.76 -1.91 0.00 0.00 174.94 172.62 3ijx s LEU 12 N -3.13 4.18 -0.21 8.50 1.43 -1.26 -4.55 118.68 123.65 3ijx s LEU 12 Ca 0.20 -0.40 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3ijx s LEU 12 Cb -0.02 -2.80 0.11 0.00 0.03 0.00 0.00 46.19 43.51 3ijx s LEU 12 CO 0.07 -1.19 0.34 -0.70 0.23 0.00 0.00 176.35 175.09 3ijx s GLU 13 N 3.82 0.28 0.26 1.70 2.56 -1.02 -5.00 118.70 121.31 3ijx s GLU 13 Ca 0.29 0.62 -0.29 0.00 0.00 0.00 0.00 54.97 55.58 3ijx s GLU 13 Cb -0.13 -0.36 -0.09 0.00 2.00 0.00 0.00 34.13 35.55 3ijx s GLU 13 CO 0.19 -0.51 1.25 -1.12 -0.56 0.00 0.00 175.26 174.51 3ijx s SER 14 N 2.50 6.96 -0.28 -1.70 0.01 -1.25 -0.28 113.70 119.66 3ijx s SER 14 Ca 0.07 2.45 0.12 0.00 1.31 0.00 0.00 55.95 59.90 3ijx s SER 14 Cb -0.14 -2.63 0.68 0.00 0.21 0.00 0.00 66.02 64.14 3ijx s SER 14 CO -0.13 -0.42 1.69 -0.81 0.41 0.00 0.00 173.24 173.97 3ijx n PRO 15 N 1.67 3.44 0.10 12.44 -0.04 -1.26 -4.95 135.00 146.40 3ijx n PRO 15 Ca 0.02 -3.06 -0.13 0.00 -0.04 0.00 0.00 63.50 60.29 3ijx n PRO 15 Cb 0.43 -2.10 -0.08 0.00 -0.04 0.00 0.00 33.50 31.71 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 2.40 -0.24 -3.51 0.54 0.05 -0.98 -1.21 116.97 114.02 3ijx h TYR 16 Ca 0.18 -0.01 -0.28 0.00 0.05 0.00 0.00 58.73 58.68 3ijx h TYR 16 Cb 2.05 0.08 -0.32 0.00 1.01 0.00 0.00 36.73 39.54 3ijx h TYR 16 CO 1.08 0.08 -0.70 0.08 -1.05 0.00 0.00 178.16 177.64 3ijx s VAL 17 N -4.82 -0.05 -0.10 -2.88 1.01 -0.83 -0.91 120.40 111.82 3ijx s VAL 17 Ca -0.15 0.17 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3ijx s VAL 17 Cb 0.03 -0.10 0.03 0.00 0.00 0.00 0.00 36.38 36.34 3ijx s VAL 17 CO 0.60 0.07 0.29 -0.04 0.00 0.00 0.00 175.10 176.01 3ijx s MET 18 N 0.88 0.37 0.24 2.72 -1.94 0.92 -2.42 119.30 120.06 3ijx s MET 18 Ca -0.07 0.33 -0.31 0.00 -1.71 0.00 0.00 55.69 53.93 3ijx s MET 18 Cb -0.10 0.18 -0.12 0.00 2.01 0.00 0.00 34.83 36.80 3ijx s MET 18 CO -0.03 -0.05 1.66 -1.64 -0.01 0.00 0.00 175.02 174.95 3ijx s MET 19 N -0.00 4.13 0.20 2.03 -1.94 -1.26 -1.86 119.30 120.60 3ijx s MET 19 Ca -0.01 2.58 -0.30 0.00 -1.71 0.00 0.00 55.69 56.25 3ijx s MET 19 Cb -0.02 -3.06 -0.08 0.00 2.01 0.00 0.00 34.83 33.68 3ijx s MET 19 CO 0.01 -0.69 1.06 0.21 -0.01 0.00 0.00 175.02 175.59 3ijx s LYS 20 N 0.48 4.66 0.18 2.03 2.20 -0.56 -4.86 119.74 123.88 3ijx s LYS 20 Ca 0.70 1.67 0.02 0.00 -0.36 0.00 0.00 55.97 57.99 3ijx s LYS 20 Cb -0.49 -3.27 0.47 0.00 -1.51 0.00 0.00 37.83 33.03 3ijx s LYS 20 CO 0.38 0.20 0.91 1.63 -0.36 0.00 0.00 175.35 178.12 3ijx n LYS 21 N 1.99 -0.05 -4.07 4.03 4.76 -1.26 -3.81 118.16 119.75 3ijx n LYS 21 Ca 0.01 0.87 -0.32 0.00 -2.87 0.00 0.00 58.31 56.00 3ijx n LYS 21 Cb 0.46 -1.39 -0.16 0.00 -1.84 0.00 0.00 35.03 32.10 3ijx n LYS 21 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3ijx s ASN 22 N -4.99 3.14 0.24 4.39 4.22 -1.26 -4.94 114.94 115.74 3ijx s ASN 22 Ca -0.07 -0.69 0.00 0.00 -2.14 0.00 0.00 52.86 49.95 3ijx s ASN 22 Cb 0.17 -1.37 0.00 0.00 1.28 0.00 0.00 41.25 41.34 3ijx s ASN 22 CO 0.45 -0.05 0.00 0.00 -2.04 0.00 0.00 177.10 175.46 3ijx n HIS 23 N 4.66 -2.16 0.00 1.54 1.44 -1.25 -4.37 115.22 115.08 3ijx n HIS 23 Ca -0.18 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 55.94 3ijx n HIS 23 Cb 0.49 0.72 0.00 0.00 0.12 0.00 0.00 29.99 31.32 3ijx n HIS 23 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3ijx n GLU 24 N -3.27 0.00 0.00 -1.40 4.71 -1.26 -2.57 120.64 116.85 3ijx n GLU 24 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3ijx n GLU 24 Cb 0.00 -0.22 0.00 0.00 -1.01 0.00 0.00 31.44 30.21 3ijx n GLU 24 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 3ijx n MET 25 N -0.09 0.00 0.01 3.49 2.00 -1.26 -5.00 117.12 116.27 3ijx n MET 25 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 57.70 57.69 3ijx n MET 25 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.23 3ijx n MET 25 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3ijx h LEU 26 N 0.00 -0.14 0.00 4.03 3.38 -1.72 -3.50 115.31 117.36 3ijx h LEU 26 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ijx h LEU 26 Cb 0.00 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3ijx h LEU 26 CO 0.00 -0.05 0.00 1.21 0.09 0.00 0.00 178.44 179.69 3ijx n GLU 27 N -2.71 0.00 0.00 1.13 2.13 -1.26 -5.01 120.64 114.92 3ijx n GLU 27 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3ijx n GLU 27 Cb 0.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.75 3ijx n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ijx n GLY 28 N 0.33 3.28 0.22 8.31 0.00 -1.26 -1.66 105.19 114.41 3ijx n GLY 28 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 5.20 0.00 0.00 1.61 2.35 -1.92 -3.29 115.58 119.52 3ijx h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ijx h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3ijx h ASN 29 CO 0.00 0.00 0.11 -0.33 -1.65 0.00 0.00 177.43 175.56 3ijx h GLU 30 N 0.00 0.00 0.00 0.81 3.07 -1.72 -2.00 114.58 114.75 3ijx h GLU 30 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3ijx h GLU 30 Cb 0.85 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3ijx h GLU 30 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 3ijx h ARG 31 N 0.00 0.00 -6.12 2.33 3.08 -1.63 -3.45 114.38 108.59 3ijx h ARG 31 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3ijx h ARG 31 Cb 0.22 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.17 3ijx h ARG 31 CO 0.00 0.00 -0.60 0.71 -1.07 0.00 0.00 179.97 179.01 3ijx s TYR 32 N -3.96 2.65 0.17 3.04 2.02 -0.75 -1.50 117.35 119.03 3ijx s TYR 32 Ca -0.03 -0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.17 3ijx s TYR 32 Cb 0.11 -1.42 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 3ijx s TYR 32 CO 0.46 0.49 0.48 -1.83 -1.57 0.00 0.00 175.55 173.59 3ijx s GLU 33 N -3.74 1.28 0.00 -0.62 -1.05 -0.78 -4.79 118.70 109.00 3ijx s GLU 33 Ca 0.34 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.36 3ijx s GLU 33 Cb -0.03 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3ijx s GLU 33 CO 0.21 -0.53 0.00 0.41 0.95 0.00 0.00 175.26 176.30 3ijx n GLY 34 N -0.31 3.35 0.38 -3.83 0.00 -1.26 -0.06 105.19 103.47 3ijx n GLY 34 Ca -0.12 -1.80 -0.06 0.00 0.00 0.00 0.00 46.02 44.04 3ijx n GLY 34 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ijx n TYR 35 N -1.67 -0.20 0.19 1.61 4.19 -0.46 -0.98 117.16 119.85 3ijx n TYR 35 Ca 0.00 1.18 0.05 0.00 3.31 0.00 0.00 57.90 62.45 3ijx n TYR 35 Cb 0.00 -0.71 0.39 0.00 0.49 0.00 0.00 39.34 39.51 3ijx n TYR 35 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3ijx h VAL 37 N 0.00 1.28 -0.16 0.00 2.07 -1.00 -0.42 116.25 118.02 3ijx h VAL 37 Ca -0.00 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.36 3ijx h VAL 37 Cb 0.76 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3ijx h VAL 37 CO 0.05 0.37 -0.00 0.44 0.02 0.00 0.00 177.57 178.44 3ijx h ASP 38 N 0.39 0.21 0.58 0.57 5.19 -0.85 -2.70 116.42 119.80 3ijx h ASP 38 Ca 0.08 -0.02 -0.23 0.00 -0.62 0.00 0.00 57.03 56.23 3ijx h ASP 38 Cb 0.58 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 3ijx h ASP 38 CO 0.03 0.25 -1.03 0.25 -3.12 0.00 0.00 179.24 175.62 3ijx h LEU 39 N 0.23 0.36 -1.28 1.55 5.85 -0.91 -3.07 115.31 118.04 3ijx h LEU 39 Ca 0.05 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.37 3ijx h LEU 39 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3ijx h LEU 39 CO 0.00 1.18 -0.36 0.00 -0.34 0.00 0.00 178.44 178.93 3ijx h ALA 40 N 0.78 1.40 0.13 1.25 0.00 -0.83 -0.03 119.26 121.96 3ijx h ALA 40 Ca -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3ijx h ALA 40 Cb 1.71 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3ijx h ALA 40 CO 0.17 0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 3ijx h ALA 41 N 1.64 -0.18 -0.08 0.00 0.00 -1.42 -1.61 119.26 117.61 3ijx h ALA 41 Ca -0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 3ijx h ALA 41 Cb 0.64 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3ijx h ALA 41 CO 0.05 -0.39 -0.82 0.93 0.00 0.00 0.00 179.25 179.02 3ijx h GLU 42 N -0.60 0.57 -0.24 0.00 4.39 -1.47 -1.89 114.58 115.34 3ijx h GLU 42 Ca -0.02 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.24 3ijx h GLU 42 Cb 0.46 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.15 3ijx h GLU 42 CO 0.03 1.13 -0.35 0.82 -1.16 0.00 0.00 179.01 179.48 3ijx h ILE 43 N 0.37 0.23 -0.72 3.13 1.08 -1.06 -1.53 117.51 119.00 3ijx h ILE 43 Ca -0.06 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.47 3ijx h ILE 43 Cb 1.43 0.23 -0.05 0.00 -3.07 0.00 0.00 36.82 35.35 3ijx h ILE 43 CO 0.15 0.00 0.43 0.00 -0.69 0.00 0.00 178.15 178.04 3ijx h ALA 44 N 0.47 0.97 -0.43 1.87 0.00 -1.14 -1.21 119.26 119.81 3ijx h ALA 44 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ijx h ALA 44 Cb 0.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ijx h ALA 44 CO -0.44 0.14 0.18 1.57 0.00 0.00 0.00 179.25 180.70 3ijx h LYS 45 N 0.79 0.63 0.00 0.00 5.09 -0.74 0.79 116.57 123.14 3ijx h LYS 45 Ca 0.31 -0.11 -0.10 0.00 0.09 0.00 0.00 60.65 60.84 3ijx h LYS 45 Cb 0.15 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.36 3ijx h LYS 45 CO -0.16 0.58 -0.50 0.45 -2.09 0.00 0.00 179.45 177.72 3ijx h HIS 46 N 0.54 0.00 0.00 0.07 -0.00 -0.89 -2.39 115.15 112.48 3ijx h HIS 46 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3ijx h HIS 46 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.59 3ijx h HIS 46 CO -0.00 0.50 -0.73 0.00 -0.00 0.00 0.00 177.93 177.70 3ijx n GLY 48 N 1.39 -0.19 3.12 0.00 0.00 0.27 -5.06 105.19 104.73 3ijx n GLY 48 Ca 0.03 0.07 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.22 0.71 0.21 1.61 -0.12 -0.59 -5.03 117.98 111.55 3ijx s PHE 49 Ca 0.16 -0.93 -0.09 0.00 -0.05 0.00 0.00 56.93 56.01 3ijx s PHE 49 Cb -0.02 -0.45 -0.07 0.00 -0.63 0.00 0.00 43.02 41.85 3ijx s PHE 49 CO 0.43 -0.23 0.53 -1.59 -0.05 0.00 0.00 175.22 174.30 3ijx s LYS 50 N -3.62 3.79 0.13 1.99 0.00 -1.26 -4.65 119.74 116.12 3ijx s LYS 50 Ca 0.07 0.24 -0.07 0.00 0.00 0.00 0.00 55.97 56.22 3ijx s LYS 50 Cb 0.05 -2.69 -0.01 0.00 0.00 0.00 0.00 37.83 35.17 3ijx s LYS 50 CO -0.06 0.35 0.20 1.52 0.00 0.00 0.00 175.35 177.35 3ijx s TYR 51 N -1.77 0.42 -0.13 1.78 1.13 -1.26 -1.07 117.35 116.45 3ijx s TYR 51 Ca 0.46 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 55.30 3ijx s TYR 51 Cb -0.12 -0.15 0.03 0.00 -1.10 0.00 0.00 41.96 40.62 3ijx s TYR 51 CO 0.21 -0.61 -0.06 0.21 -2.51 0.00 0.00 175.55 172.79 3ijx s LYS 52 N -3.95 1.35 0.15 -3.49 2.20 -0.13 -4.87 119.74 111.00 3ijx s LYS 52 Ca 0.14 -0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.16 3ijx s LYS 52 Cb 0.05 -1.65 -0.08 0.00 -1.51 0.00 0.00 37.83 34.63 3ijx s LYS 52 CO -0.03 -0.33 1.37 -0.51 -0.36 0.00 0.00 175.35 175.48 3ijx s LEU 53 N 1.73 4.39 -0.03 5.43 1.43 -1.26 -1.05 118.68 129.31 3ijx s LEU 53 Ca 0.04 2.38 0.02 0.00 -1.03 0.00 0.00 54.13 55.53 3ijx s LEU 53 Cb -0.13 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.50 3ijx s LEU 53 CO -0.08 -0.62 -0.06 0.42 0.23 0.00 0.00 176.35 176.25 3ijx s THR 54 N 0.69 0.58 0.25 5.49 -4.23 0.58 -4.90 115.64 114.10 3ijx s THR 54 Ca 0.62 -0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.62 3ijx s THR 54 Cb -0.37 -0.55 -0.09 0.00 1.34 0.00 0.00 72.50 72.83 3ijx s THR 54 CO 0.34 0.21 1.03 -0.63 -0.54 0.00 0.00 174.62 175.02 3ijx s ILE 55 N 0.47 3.78 0.32 2.99 -1.09 -1.26 -2.75 121.20 123.66 3ijx s ILE 55 Ca -0.06 1.76 -0.28 0.00 -2.23 0.00 0.00 60.65 59.83 3ijx s ILE 55 Cb -0.10 -4.12 -0.10 0.00 -1.58 0.00 0.00 42.46 36.56 3ijx s ILE 55 CO 0.00 0.41 1.22 0.54 -1.23 0.00 0.00 174.94 175.89 3ijx s VAL 56 N -1.07 3.01 0.00 2.92 0.11 0.17 -4.90 120.40 120.65 3ijx s VAL 56 Ca 0.43 0.99 0.00 0.00 -2.93 0.00 0.00 61.98 60.48 3ijx s VAL 56 Cb -0.29 -3.62 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 3ijx s VAL 56 CO 0.37 0.22 0.93 0.61 -3.33 0.00 0.00 175.10 173.89 3ijx n GLY 57 N 0.90 -2.60 0.00 6.54 0.00 -1.26 -2.97 105.19 105.80 3ijx n GLY 57 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3ijx n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ijx n ASP 58 N -1.89 0.00 -1.56 1.61 3.85 -1.26 -4.85 116.55 112.45 3ijx n ASP 58 Ca 0.00 -0.12 -0.17 0.00 -0.71 0.00 0.00 54.79 53.79 3ijx n ASP 58 Cb 0.00 -0.19 -0.05 0.00 -1.35 0.00 0.00 41.12 39.53 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 -0.01 0.98 3.93 6.12 0.00 -1.16 -5.01 105.19 110.04 3ijx n GLY 59 Ca 0.09 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.96 2.61 -0.13 1.61 1.02 -1.26 -4.96 119.74 114.66 3ijx s LYS 60 Ca 0.00 -1.47 -0.14 0.00 0.02 0.00 0.00 55.97 54.39 3ijx s LYS 60 Cb 0.00 -2.51 -0.25 0.00 -0.52 0.00 0.00 37.83 34.55 3ijx s LYS 60 CO 0.00 -0.27 0.43 1.88 -0.92 0.00 0.00 175.35 176.47 3ijx h TYR 61 N 0.84 0.39 0.00 3.18 -1.99 -1.89 -3.04 116.97 114.46 3ijx h TYR 61 Ca -0.40 -0.28 0.00 0.00 2.00 0.00 0.00 58.73 60.05 3ijx h TYR 61 Cb 1.27 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3ijx h TYR 61 CO 0.49 1.63 0.00 0.41 -0.00 0.00 0.00 178.16 180.69 3ijx n GLY 62 N 1.78 3.11 3.45 3.88 0.00 -1.19 -1.72 105.19 114.50 3ijx n GLY 62 Ca -0.29 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 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 2.66 -0.20 4.61 0.00 -1.26 -4.83 121.76 122.74 3ijx s ALA 63 Ca 0.00 -1.80 -0.24 0.00 0.00 0.00 0.00 51.96 49.92 3ijx s ALA 63 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 3ijx s ALA 63 CO 0.00 0.32 0.81 0.50 0.00 0.00 0.00 175.76 177.39 3ijx s ARG 64 N -3.26 4.24 -0.32 0.00 6.06 -1.26 -1.56 118.95 122.85 3ijx s ARG 64 Ca 0.27 0.94 -0.29 0.00 -2.50 0.00 0.00 55.73 54.15 3ijx s ARG 64 Cb -0.06 -3.60 -0.01 0.00 0.06 0.00 0.00 34.95 31.34 3ijx s ARG 64 CO 0.13 -0.40 1.61 0.34 -2.50 0.00 0.00 175.30 174.48 3ijx s ASP 65 N 1.24 6.20 0.23 -2.12 2.15 -0.33 -4.91 116.67 119.14 3ijx s ASP 65 Ca 0.36 1.27 -0.14 0.00 0.43 0.00 0.00 52.55 54.47 3ijx s ASP 65 Cb -0.16 -2.53 0.29 0.00 -0.30 0.00 0.00 42.92 40.22 3ijx s ASP 65 CO 0.10 -1.46 1.58 0.00 -0.17 0.00 0.00 175.17 175.22 3ijx h ALA 66 N 11.43 0.36 -2.55 3.66 0.00 -1.95 0.49 119.26 130.71 3ijx h ALA 66 Ca -0.32 0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3ijx h ALA 66 Cb 1.14 0.74 0.00 0.00 0.00 0.00 0.00 17.79 19.67 3ijx h ALA 66 CO 1.04 -0.50 0.00 -0.25 0.00 0.00 0.00 179.25 179.54 3ijx n ASP 67 N -5.51 0.00 0.15 0.00 8.00 -1.26 -3.65 116.55 114.28 3ijx n ASP 67 Ca 0.10 0.58 0.06 0.00 0.71 0.00 0.00 54.79 56.24 3ijx n ASP 67 Cb 0.41 -0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.43 -0.42 -3.53 1.35 -1.96 -3.47 112.91 105.31 3ijx h THR 68 Ca 0.00 -1.64 -0.08 0.00 -0.55 0.00 0.00 66.41 64.14 3ijx h THR 68 Cb 0.00 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3ijx h THR 68 CO 0.00 0.25 -0.09 0.29 -0.25 0.00 0.00 175.52 175.71 3ijx n LYS 69 N -3.08 -0.30 -3.71 4.72 4.76 0.17 -5.04 118.16 115.68 3ijx n LYS 69 Ca 0.01 0.37 -0.36 0.00 -2.87 0.00 0.00 58.31 55.46 3ijx n LYS 69 Cb 0.66 -4.07 -0.06 0.00 -1.84 0.00 0.00 35.03 29.72 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 -2.18 5.27 -0.23 -0.18 -1.09 -1.25 -4.78 121.20 116.77 3ijx s ILE 70 Ca 0.00 0.40 -0.23 0.00 -2.23 0.00 0.00 60.65 58.59 3ijx s ILE 70 Cb 0.00 -3.56 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3ijx s ILE 70 CO 0.00 0.51 0.75 0.26 -1.23 0.00 0.00 174.94 175.22 3ijx s TRP 71 N -1.15 3.33 0.62 3.97 0.52 -1.26 -1.19 118.94 123.78 3ijx s TRP 71 Ca 0.23 1.04 0.02 0.00 0.02 0.00 0.00 56.10 57.41 3ijx s TRP 71 Cb -0.14 -2.95 0.12 0.00 -1.15 0.00 0.00 33.47 29.35 3ijx s TRP 71 CO 0.11 -0.32 0.85 0.27 0.02 0.00 0.00 176.95 177.89 3ijx n ASN 72 N 5.64 1.36 -0.62 2.95 0.23 -0.60 -4.25 115.26 119.97 3ijx n ASN 72 Ca 0.03 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.98 3ijx n ASN 72 Cb 0.48 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3ijx n ASN 72 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3ijx n GLY 73 N -1.71 -1.04 0.29 4.83 0.00 -1.26 -2.11 105.19 104.19 3ijx n GLY 73 Ca 0.15 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 0.63 -0.70 1.61 2.86 -1.21 -0.72 114.93 117.40 3ijx h MET 74 Ca 0.00 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 3ijx h MET 74 Cb 0.00 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.43 3ijx h MET 74 CO 0.00 0.42 0.29 0.28 1.06 0.00 0.00 176.91 178.96 3ijx h VAL 75 N 0.65 0.72 0.09 -2.22 2.07 -1.58 -1.97 116.25 114.01 3ijx h VAL 75 Ca 0.40 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 3ijx h VAL 75 Cb 0.47 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3ijx h VAL 75 CO -0.30 0.08 -0.04 1.23 0.02 0.00 0.00 177.57 178.56 3ijx h GLY 76 N 0.46 -0.12 -0.29 2.17 0.00 -0.64 -0.89 103.07 103.75 3ijx h GLY 76 Ca 0.37 0.05 0.29 0.00 0.00 0.00 0.00 47.33 48.04 3ijx h GLY 76 CO -0.35 -0.05 0.69 0.83 0.00 0.00 0.00 176.54 177.66 3ijx h GLU 77 N -0.22 0.34 -0.02 4.80 4.39 -0.46 0.57 114.58 123.98 3ijx h GLU 77 Ca -0.01 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3ijx h GLU 77 Cb 0.18 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3ijx h GLU 77 CO 0.02 0.23 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.97 3ijx h LEU 78 N 0.35 0.08 -1.45 1.33 3.38 -1.07 0.40 115.31 118.33 3ijx h LEU 78 Ca 0.63 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ijx h LEU 78 Cb 1.66 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 3ijx h LEU 78 CO -0.33 0.70 0.04 0.58 0.09 0.00 0.00 178.44 179.52 3ijx h VAL 79 N -0.54 1.15 -0.56 1.22 2.07 0.49 -2.63 116.25 117.45 3ijx h VAL 79 Ca -0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3ijx h VAL 79 Cb 0.69 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3ijx h VAL 79 CO 0.01 0.19 0.00 -1.22 0.02 0.00 0.00 177.57 176.57 3ijx n TYR 80 N -4.36 0.96 -0.87 1.57 4.01 -0.48 -4.97 117.16 113.02 3ijx n TYR 80 Ca 0.01 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.19 3ijx n TYR 80 Cb 0.18 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 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 1.00 0.51 0.07 2.72 0.00 -0.99 -4.92 105.19 103.57 3ijx n GLY 81 Ca 0.21 -0.49 0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.87 0.56 -3.61 1.61 4.76 0.04 -4.90 118.16 113.74 3ijx n LYS 82 Ca 0.00 -0.13 -0.10 0.00 -2.87 0.00 0.00 58.31 55.20 3ijx n LYS 82 Cb 0.00 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.66 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 -2.54 -1.21 -0.07 7.82 0.00 -0.64 -4.96 121.76 120.17 3ijx s ALA 83 Ca 0.28 0.07 0.20 0.00 0.00 0.00 0.00 51.96 52.51 3ijx s ALA 83 Cb 0.20 0.84 -0.30 0.00 0.00 0.00 0.00 23.12 23.85 3ijx s ALA 83 CO 0.48 -0.78 0.45 -0.25 0.00 0.00 0.00 175.76 175.66 3ijx n ASP 84 N -0.34 0.50 -3.62 0.00 8.00 -0.50 -4.58 116.55 116.01 3ijx n ASP 84 Ca -0.13 -0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.25 3ijx n ASP 84 Cb 0.63 1.86 -0.06 0.00 -0.02 0.00 0.00 41.12 43.54 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 -3.35 0.00 -0.21 0.53 2.07 -1.13 -4.25 121.20 114.86 3ijx s ILE 85 Ca -0.07 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.15 3ijx s ILE 85 Cb 0.13 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.72 3ijx s ILE 85 CO 0.82 0.00 -0.09 0.00 -1.91 0.00 0.00 174.94 173.76 3ijx s ALA 86 N -0.50 2.66 -0.38 1.50 0.00 0.14 -0.23 121.76 124.95 3ijx s ALA 86 Ca 0.03 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 3ijx s ALA 86 Cb -0.03 -1.54 0.10 0.00 0.00 0.00 0.00 23.12 21.65 3ijx s ALA 86 CO -0.05 -0.44 0.13 0.42 0.00 0.00 0.00 175.76 175.82 3ijx s ILE 87 N 1.41 2.98 0.10 0.00 1.01 -0.93 -1.28 121.20 124.48 3ijx s ILE 87 Ca 0.05 -2.04 -0.27 0.00 0.00 0.00 0.00 60.65 58.40 3ijx s ILE 87 Cb -0.14 -3.03 0.08 0.00 0.01 0.00 0.00 42.46 39.38 3ijx s ILE 87 CO -0.06 -0.58 1.02 0.00 0.00 0.00 0.00 174.94 175.31 3ijx s ALA 88 N 1.09 -1.79 -0.39 9.38 0.00 -1.26 -4.65 121.76 124.14 3ijx s ALA 88 Ca 0.07 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.32 3ijx s ALA 88 Cb -0.21 0.54 -0.08 0.00 0.00 0.00 0.00 23.12 23.37 3ijx s ALA 88 CO -0.05 -1.00 1.54 -0.35 0.00 0.00 0.00 175.76 175.91 3ijx n PRO 89 N -0.44 0.87 -3.63 0.00 -0.04 -1.26 -4.77 135.00 125.72 3ijx n PRO 89 Ca -0.07 -1.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.98 3ijx n PRO 89 Cb 0.61 -2.30 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 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 0.15 4.43 0.17 1.53 2.96 -1.26 -5.04 118.68 121.61 3ijx s LEU 90 Ca 0.27 -0.80 -0.30 0.00 -0.22 0.00 0.00 54.13 53.08 3ijx s LEU 90 Cb 0.07 -2.00 -0.08 0.00 0.50 0.00 0.00 46.19 44.68 3ijx s LEU 90 CO 0.04 -0.30 1.19 -0.89 -1.32 0.00 0.00 176.35 175.07 3ijx s THR 91 N 1.57 3.67 -0.08 3.68 2.01 -1.26 -2.10 115.64 123.13 3ijx s THR 91 Ca 0.03 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 3ijx s THR 91 Cb -0.18 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.41 3ijx s THR 91 CO 0.06 0.21 1.32 -0.63 -0.69 0.00 0.00 174.62 174.89 3ijx s ILE 92 N 0.07 4.05 0.04 1.82 1.01 -0.43 -4.86 121.20 122.91 3ijx s ILE 92 Ca 0.53 1.35 -0.08 0.00 0.00 0.00 0.00 60.65 62.45 3ijx s ILE 92 Cb -0.32 -3.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.28 3ijx s ILE 92 CO 0.35 -0.06 0.16 0.42 0.00 0.00 0.00 174.94 175.82 3ijx s THR 93 N 2.92 0.12 0.16 2.92 -4.23 -1.26 -4.71 115.64 111.56 3ijx s THR 93 Ca 0.59 -0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 59.96 3ijx s THR 93 Cb -0.26 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.69 3ijx s THR 93 CO 0.21 -0.54 1.71 0.25 -0.54 0.00 0.00 174.62 175.71 3ijx h LEU 94 N 3.47 -0.10 -0.59 4.79 5.85 -1.98 0.79 115.31 127.55 3ijx h LEU 94 Ca -0.32 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.49 3ijx h LEU 94 Cb 1.19 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3ijx h LEU 94 CO 0.49 -0.01 0.37 -0.37 -0.34 0.00 0.00 178.44 178.58 3ijx h VAL 95 N 0.12 1.10 -0.49 1.05 -1.51 -2.00 -2.60 116.25 111.93 3ijx h VAL 95 Ca 0.17 -0.25 -0.11 0.00 -1.23 0.00 0.00 66.70 65.27 3ijx h VAL 95 Cb 0.23 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 3ijx h VAL 95 CO -0.27 0.14 -0.14 0.03 -1.23 0.00 0.00 177.57 176.10 3ijx h ARG 96 N 0.74 0.96 0.00 5.19 3.08 -1.79 -2.90 114.38 119.66 3ijx h ARG 96 Ca 0.23 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3ijx h ARG 96 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ijx h ARG 96 CO -0.08 1.04 0.00 -1.91 -1.07 0.00 0.00 179.97 177.95 3ijx n GLU 97 N -4.19 0.10 0.14 0.04 4.07 0.21 -1.14 120.64 119.87 3ijx n GLU 97 Ca 0.00 0.47 0.03 0.00 -0.06 0.00 0.00 57.16 57.60 3ijx n GLU 97 Cb 0.41 -1.75 0.07 0.00 -0.06 0.00 0.00 31.44 30.11 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 -1.25 -3.37 114.58 120.35 3ijx h GLU 98 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3ijx h GLU 98 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ijx h GLU 98 CO 0.00 0.50 -1.37 1.33 -1.00 0.00 0.00 179.01 178.47 3ijx n VAL 99 N -3.27 0.10 -4.32 3.13 0.24 -0.72 -5.04 118.33 108.45 3ijx n VAL 99 Ca 0.02 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 61.96 3ijx n VAL 99 Cb 0.71 0.10 -0.10 0.00 -1.47 0.00 0.00 33.84 33.07 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 -2.44 0.73 -0.14 1.34 -4.36 -0.29 -3.96 121.20 112.08 3ijx s ILE 100 Ca -0.03 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 3ijx s ILE 100 Cb 0.04 -2.49 -0.05 0.00 1.25 0.00 0.00 42.46 41.22 3ijx s ILE 100 CO 0.30 -0.16 0.21 -1.81 0.24 0.00 0.00 174.94 173.73 3ijx s ASP 101 N -3.30 6.41 -0.11 4.36 1.01 -0.73 -4.22 116.67 120.10 3ijx s ASP 101 Ca 0.33 0.48 -0.02 0.00 0.71 0.00 0.00 52.55 54.05 3ijx s ASP 101 Cb 0.07 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.84 3ijx s ASP 101 CO 0.11 0.25 -0.01 -0.36 0.21 0.00 0.00 175.17 175.37 3ijx s PHE 102 N -0.25 3.11 1.08 4.23 0.08 -1.26 -1.97 117.98 123.00 3ijx s PHE 102 Ca 0.15 0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.12 3ijx s PHE 102 Cb -0.13 -1.84 0.24 0.00 -0.57 0.00 0.00 43.02 40.73 3ijx s PHE 102 CO 0.04 0.32 1.06 -1.54 -0.10 0.00 0.00 175.22 174.99 3ijx s SER 103 N -0.50 1.73 0.90 1.36 1.04 -0.21 -4.96 113.70 113.06 3ijx s SER 103 Ca 0.08 1.44 -0.10 0.00 0.48 0.00 0.00 55.95 57.86 3ijx s SER 103 Cb -0.12 -2.16 0.14 0.00 0.10 0.00 0.00 66.02 63.97 3ijx s SER 103 CO 0.02 -3.72 1.13 -0.54 0.98 0.00 0.00 173.24 171.11 3ijx s LYS 104 N -4.66 1.12 0.47 4.02 -0.14 -1.26 -4.50 119.74 114.78 3ijx s LYS 104 Ca 0.67 1.43 -0.24 0.00 -1.36 0.00 0.00 55.97 56.47 3ijx s LYS 104 Cb -0.22 -1.75 -0.07 0.00 -1.68 0.00 0.00 37.83 34.11 3ijx s LYS 104 CO 0.62 -2.52 1.34 -2.14 -0.76 0.00 0.00 175.35 171.88 3ijx s PRO 105 N -4.69 3.60 -0.01 -1.68 0.02 -1.26 -4.43 135.00 126.55 3ijx s PRO 105 Ca 0.66 2.20 0.15 0.00 0.02 0.00 0.00 61.00 64.03 3ijx s PRO 105 Cb -0.22 -2.52 -0.19 0.00 0.02 0.00 0.00 34.50 31.58 3ijx s PRO 105 CO 0.58 -0.81 0.48 1.97 -0.33 0.00 0.00 177.00 178.89 3ijx n PHE 106 N -0.41 0.00 -3.79 6.54 1.16 -0.14 -4.97 117.46 115.85 3ijx n PHE 106 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.52 3ijx n PHE 106 Cb 0.44 -0.16 -0.12 0.00 -1.61 0.00 0.00 39.48 38.03 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 -2.69 0.30 0.28 3.97 0.00 -1.24 -4.95 119.30 114.96 3ijx s MET 107 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 55.69 56.02 3ijx s MET 107 Cb 0.10 0.14 -0.04 0.00 0.00 0.00 0.00 34.83 35.04 3ijx s MET 107 CO 0.61 -0.04 0.48 0.45 0.00 0.00 0.00 175.02 176.52 3ijx s SER 108 N 0.09 6.34 0.05 1.11 0.15 -1.26 -1.79 113.70 118.38 3ijx s SER 108 Ca -0.00 0.41 -0.28 0.00 0.70 0.00 0.00 55.95 56.77 3ijx s SER 108 Cb -0.02 -2.01 0.10 0.00 -1.71 0.00 0.00 66.02 62.38 3ijx s SER 108 CO 0.00 -0.18 1.17 -1.48 1.20 0.00 0.00 173.24 173.95 3ijx s LEU 109 N -3.91 -0.10 0.17 3.45 -0.00 -0.80 -4.80 118.68 112.70 3ijx s LEU 109 Ca 0.39 -0.24 -0.18 0.00 -0.00 0.00 0.00 54.13 54.11 3ijx s LEU 109 Cb -0.10 1.66 0.03 0.00 -0.00 0.00 0.00 46.19 47.78 3ijx s LEU 109 CO 0.32 -0.52 0.50 -0.83 -0.00 0.00 0.00 176.35 175.83 3ijx s GLY 110 N -2.99 -0.19 -0.12 -3.48 0.00 -1.26 -1.45 107.32 97.83 3ijx s GLY 110 Ca 0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 44.72 44.46 3ijx s GLY 110 CO -0.02 -0.23 1.60 -0.42 0.00 0.00 0.00 173.10 174.03 3ijx s ILE 111 N -3.84 3.69 0.42 0.90 1.01 -1.25 0.91 121.20 123.04 3ijx s ILE 111 Ca 0.07 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.58 3ijx s ILE 111 Cb -0.00 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 3ijx s ILE 111 CO -0.06 -0.14 0.04 -0.94 0.00 0.00 0.00 174.94 173.85 3ijx s SER 112 N 3.51 3.38 -0.10 3.58 1.04 -0.09 -0.49 113.70 124.53 3ijx s SER 112 Ca 0.71 -1.51 -0.03 0.00 0.48 0.00 0.00 55.95 55.59 3ijx s SER 112 Cb -0.29 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 3ijx s SER 112 CO 0.28 -0.70 0.03 -0.63 0.98 0.00 0.00 173.24 173.20 3ijx s ILE 113 N -3.00 4.58 -0.07 -1.02 1.01 -1.26 -2.46 121.20 118.98 3ijx s ILE 113 Ca 0.25 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.79 3ijx s ILE 113 Cb 0.06 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 3ijx s ILE 113 CO 0.12 0.60 -0.19 -0.32 0.00 0.00 0.00 174.94 175.15 3ijx s MET 114 N -0.79 2.75 0.09 2.79 -2.45 0.16 -3.23 119.30 118.62 3ijx s MET 114 Ca 0.12 -0.79 0.00 0.00 -1.25 0.00 0.00 55.69 53.78 3ijx s MET 114 Cb -0.12 -2.34 -0.04 0.00 1.25 0.00 0.00 34.83 33.58 3ijx s MET 114 CO 0.02 0.41 -0.02 0.96 1.05 0.00 0.00 175.02 177.44 3ijx s ILE 115 N -0.20 0.39 0.35 10.11 -4.36 -1.12 -0.77 121.20 125.60 3ijx s ILE 115 Ca -0.01 -1.89 -0.27 0.00 -0.26 0.00 0.00 60.65 58.22 3ijx s ILE 115 Cb -0.13 -1.74 -0.09 0.00 1.25 0.00 0.00 42.46 41.74 3ijx s ILE 115 CO 0.03 -0.79 1.17 -0.75 0.24 0.00 0.00 174.94 174.84 3ijx s LYS 116 N -3.92 4.31 0.16 0.37 2.20 -1.26 -2.08 119.74 119.52 3ijx s LYS 116 Ca 0.14 1.90 -0.32 0.00 -0.36 0.00 0.00 55.97 57.33 3ijx s LYS 116 Cb 0.07 -2.92 -0.12 0.00 -1.51 0.00 0.00 37.83 33.35 3ijx s LYS 116 CO -0.04 -0.11 1.74 1.63 -0.36 0.00 0.00 175.35 178.20 3ijx n LYS 117 N 0.58 2.64 0.00 4.03 5.02 0.01 -2.02 118.16 128.42 3ijx n LYS 117 Ca 0.02 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.26 3ijx n LYS 117 Cb 0.45 -2.81 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 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 3.97 1.10 3.76 0.72 0.00 -1.26 -5.04 105.19 108.44 3ijx n GLY 118 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 4.42 0.00 2.61 2.01 -0.86 -4.94 115.64 116.89 3ijx s THR 119 Ca 0.00 1.75 0.00 0.00 0.31 0.00 0.00 61.69 63.75 3ijx s THR 119 Cb 0.00 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.35 3ijx s THR 119 CO 0.00 0.48 0.76 -2.65 -0.69 0.00 0.00 174.62 172.52 3ijx n PRO 120 N 1.90 0.52 -5.24 4.92 -0.02 -1.26 -4.82 135.00 131.01 3ijx n PRO 120 Ca -0.04 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.14 3ijx n PRO 120 Cb 0.49 -1.24 -0.16 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.69 1.95 0.00 4.25 -1.09 -1.26 -5.01 121.20 120.73 3ijx s ILE 121 Ca 0.00 -1.05 0.00 0.00 -2.23 0.00 0.00 60.65 57.37 3ijx s ILE 121 Cb 0.00 -1.62 0.00 0.00 -1.58 0.00 0.00 42.46 39.26 3ijx s ILE 121 CO 0.00 0.55 0.00 -1.84 -1.23 0.00 0.00 174.94 172.42 3ijx n GLU 122 N 2.48 2.12 -3.34 2.79 0.28 -1.26 -4.99 120.64 118.73 3ijx n GLU 122 Ca -0.16 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.74 3ijx n GLU 122 Cb 0.51 -0.92 -0.01 0.00 1.43 0.00 0.00 31.44 32.46 3ijx n GLU 122 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3ijx n SER 123 N -1.49 -1.30 0.06 -1.84 3.41 -1.26 -3.82 113.62 107.37 3ijx n SER 123 Ca 0.00 -2.39 -0.21 0.00 -0.26 0.00 0.00 58.87 56.01 3ijx n SER 123 Cb 0.20 2.31 -0.11 0.00 -0.26 0.00 0.00 64.21 66.35 3ijx n SER 123 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3ijx h ALA 124 N 1.94 0.08 -0.94 7.33 0.00 -1.94 -3.07 119.26 122.65 3ijx h ALA 124 Ca -0.23 -0.72 0.19 0.00 0.00 0.00 0.00 54.91 54.16 3ijx h ALA 124 Cb 0.93 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 3ijx h ALA 124 CO 0.30 0.67 0.60 1.05 0.00 0.00 0.00 179.25 181.88 3ijx h GLU 125 N 0.34 0.54 -0.36 0.00 -0.00 -1.96 -0.92 114.58 112.22 3ijx h GLU 125 Ca -0.15 -0.03 -0.08 0.00 -0.00 0.00 0.00 59.36 59.10 3ijx h GLU 125 Cb 1.75 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 30.37 3ijx h GLU 125 CO 0.21 0.36 -0.09 -0.44 -0.00 0.00 0.00 179.01 179.05 3ijx h ASP 126 N 0.55 0.59 -0.18 3.06 5.19 -1.94 -2.80 116.42 120.89 3ijx h ASP 126 Ca 0.50 -0.15 -0.21 0.00 -0.62 0.00 0.00 57.03 56.55 3ijx h ASP 126 Cb 1.04 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 40.40 3ijx h ASP 126 CO -0.24 0.73 -0.72 -0.07 -3.12 0.00 0.00 179.24 175.82 3ijx h LEU 127 N 0.57 0.95 -1.19 1.55 3.38 -1.16 -3.20 115.31 116.21 3ijx h LEU 127 Ca 0.11 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.47 3ijx h LEU 127 Cb 0.50 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3ijx h LEU 127 CO 0.03 1.40 0.47 0.77 0.09 0.00 0.00 178.44 181.19 3ijx h SER 128 N 0.56 0.90 -0.03 -0.43 4.64 -1.26 -2.78 113.55 115.15 3ijx h SER 128 Ca -0.04 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.22 3ijx h SER 128 Cb 1.34 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3ijx h SER 128 CO 0.15 0.68 0.02 0.29 -0.87 0.00 0.00 176.83 177.10 3ijx n LYS 129 N -4.39 1.03 -3.80 4.77 5.02 -1.07 -4.90 118.16 114.82 3ijx n LYS 129 Ca 0.08 -0.08 -0.05 0.00 -2.02 0.00 0.00 58.31 56.25 3ijx n LYS 129 Cb 0.06 -1.03 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 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 -0.09 1.43 0.00 1.97 1.03 -1.05 -5.05 119.66 117.90 3ijx s GLN 130 Ca 0.01 -0.80 0.00 0.00 0.04 0.00 0.00 55.36 54.61 3ijx s GLN 130 Cb 0.01 0.48 0.00 0.00 0.03 0.00 0.00 33.01 33.53 3ijx s GLN 130 CO 0.00 -0.66 0.00 -2.37 -2.54 0.00 0.00 175.29 169.73 3ijx n THR 131 N -0.48 0.00 -0.22 3.63 5.66 -1.26 -4.80 114.28 116.80 3ijx n THR 131 Ca -0.05 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.02 3ijx n THR 131 Cb 0.60 -0.03 0.34 0.00 -1.55 0.00 0.00 70.33 69.69 3ijx n THR 131 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 3ijx h GLU 132 N 0.00 0.77 -4.78 1.09 3.07 -1.96 -3.38 114.58 109.38 3ijx h GLU 132 Ca 0.00 -0.05 -0.68 0.00 -0.50 0.00 0.00 59.36 58.14 3ijx h GLU 132 Cb 0.10 -0.17 -0.24 0.00 -0.84 0.00 0.00 28.75 27.60 3ijx h GLU 132 CO 0.00 0.51 -0.59 0.42 -1.40 0.00 0.00 179.01 177.95 3ijx s ILE 133 N -5.71 4.27 0.42 3.13 1.01 -1.26 -4.92 121.20 118.13 3ijx s ILE 133 Ca -0.10 -0.59 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 3ijx s ILE 133 Cb 0.20 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 39.36 3ijx s ILE 133 CO 0.78 0.06 0.94 0.00 0.00 0.00 0.00 174.94 176.72 3ijx s ALA 134 N 1.55 3.06 -0.10 9.38 0.00 -0.69 -4.87 121.76 130.09 3ijx s ALA 134 Ca 0.03 0.39 -0.08 0.00 0.00 0.00 0.00 51.96 52.30 3ijx s ALA 134 Cb -0.17 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.84 3ijx s ALA 134 CO 0.04 0.14 0.25 1.52 0.00 0.00 0.00 175.76 177.72 3ijx s TYR 135 N -2.15 -0.29 0.03 0.00 1.13 -1.26 -0.34 117.35 114.46 3ijx s TYR 135 Ca 0.61 0.70 0.01 0.00 -1.41 0.00 0.00 57.07 56.98 3ijx s TYR 135 Cb -0.09 0.09 -0.00 0.00 -1.10 0.00 0.00 41.96 40.86 3ijx s TYR 135 CO 0.14 -0.15 0.02 0.41 -2.51 0.00 0.00 175.55 173.46 3ijx n GLY 136 N 3.14 3.92 3.30 5.49 0.00 -1.18 -4.77 105.19 115.10 3ijx n GLY 136 Ca -0.15 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.11 0.63 0.72 2.61 -4.23 -1.25 -1.19 115.64 110.82 3ijx s THR 137 Ca 0.03 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 3ijx s THR 137 Cb 0.00 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.41 3ijx s THR 137 CO 0.02 -0.17 1.25 -0.22 -0.54 0.00 0.00 174.62 174.96 3ijx s LEU 138 N -3.27 3.39 0.04 4.79 2.96 -1.26 -2.80 118.68 122.52 3ijx s LEU 138 Ca 0.33 2.49 -0.19 0.00 -0.22 0.00 0.00 54.13 56.54 3ijx s LEU 138 Cb 0.07 -4.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.10 3ijx s LEU 138 CO 0.10 -2.28 0.56 -0.62 -1.32 0.00 0.00 176.35 172.80 3ijx s ASP 139 N -1.75 7.00 -0.24 3.68 3.68 0.06 -4.37 116.67 124.72 3ijx s ASP 139 Ca 0.78 1.19 -0.01 0.00 2.13 0.00 0.00 52.55 56.64 3ijx s ASP 139 Cb -0.33 -2.35 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 3ijx s ASP 139 CO 0.44 0.22 0.11 -1.20 0.13 0.00 0.00 175.17 174.87 3ijx n SER 140 N 2.11 -2.32 -2.47 -0.34 7.64 -1.26 -4.85 113.62 112.13 3ijx n SER 140 Ca -0.09 -0.05 -0.11 0.00 1.01 0.00 0.00 58.87 59.62 3ijx n SER 140 Cb 0.51 -1.21 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 3ijx n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ijx n GLY 141 N -0.85 3.67 0.28 0.23 0.00 -1.26 -3.19 105.19 104.08 3ijx n GLY 141 Ca -0.02 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 43.98 3ijx n GLY 141 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ijx h SER 142 N 0.78 0.85 -0.46 1.61 0.02 -1.94 -3.08 113.55 111.33 3ijx h SER 142 Ca -0.14 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.68 3ijx h SER 142 Cb 0.55 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3ijx h SER 142 CO 0.22 0.69 0.11 0.74 -1.14 0.00 0.00 176.83 177.45 3ijx h THR 143 N 0.94 1.24 0.21 -2.27 2.02 -1.94 0.15 112.91 113.25 3ijx h THR 143 Ca 0.24 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 3ijx h THR 143 Cb 0.02 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3ijx h THR 143 CO -0.04 0.29 -0.15 0.50 0.37 0.00 0.00 175.52 176.49 3ijx h LYS 144 N 0.62 -0.35 -1.00 6.66 3.64 -1.76 -2.82 116.57 121.57 3ijx h LYS 144 Ca 0.14 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 3ijx h LYS 144 Cb 0.32 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.16 3ijx h LYS 144 CO 0.00 -0.23 0.64 0.93 -2.27 0.00 0.00 179.45 178.52 3ijx h GLU 145 N -0.36 1.12 -0.94 1.90 4.39 -1.39 -2.02 114.58 117.28 3ijx h GLU 145 Ca -0.01 -0.07 0.19 0.00 0.34 0.00 0.00 59.36 59.81 3ijx h GLU 145 Cb 0.31 -0.25 -0.11 0.00 -0.10 0.00 0.00 28.75 28.60 3ijx h GLU 145 CO 0.00 0.74 0.52 0.35 -1.16 0.00 0.00 179.01 179.47 3ijx h PHE 146 N 1.16 0.90 0.04 4.33 3.57 -0.45 -1.66 116.94 124.84 3ijx h PHE 146 Ca 0.43 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.88 3ijx h PHE 146 Cb 0.18 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 38.68 3ijx h PHE 146 CO -0.00 0.16 -0.35 0.74 -2.23 0.00 0.00 178.31 176.62 3ijx h PHE 147 N 0.64 0.27 0.00 0.41 0.04 -1.30 -2.87 116.94 114.13 3ijx h PHE 147 Ca 0.55 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 61.14 3ijx h PHE 147 Cb 0.88 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.02 3ijx h PHE 147 CO -0.05 1.08 0.24 -0.09 -0.60 0.00 0.00 178.31 178.89 3ijx h ARG 148 N -0.62 0.00 0.00 1.51 2.43 -0.73 -2.55 114.38 114.43 3ijx h ARG 148 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ijx h ARG 148 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3ijx h ARG 148 CO 0.07 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 179.07 3ijx n ARG 149 N -2.92 0.16 -2.76 0.20 1.74 -0.69 -5.06 116.66 107.33 3ijx n ARG 149 Ca -0.02 -0.70 -0.33 0.00 -0.77 0.00 0.00 57.85 56.03 3ijx n ARG 149 Cb 0.30 -0.92 -0.06 0.00 -1.02 0.00 0.00 32.46 30.75 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 -0.25 6.88 0.00 0.55 0.15 -0.96 -4.98 113.70 115.08 3ijx s SER 150 Ca 0.00 1.65 0.10 0.00 0.70 0.00 0.00 55.95 58.40 3ijx s SER 150 Cb 0.00 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 61.98 3ijx s SER 150 CO 0.00 -0.39 1.06 0.29 1.20 0.00 0.00 173.24 175.40 3ijx n LYS 151 N -0.79 1.86 -2.81 5.44 4.76 -1.26 -4.65 118.16 120.71 3ijx n LYS 151 Ca 0.07 -1.63 -0.37 0.00 -2.87 0.00 0.00 58.31 53.51 3ijx n LYS 151 Cb 0.54 -1.22 -0.06 0.00 -1.84 0.00 0.00 35.03 32.45 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 -0.93 4.24 0.09 -0.18 1.09 -1.26 -4.93 121.20 119.32 3ijx s ILE 152 Ca 0.17 1.78 -0.20 0.00 -1.10 0.00 0.00 60.65 61.31 3ijx s ILE 152 Cb 0.10 -4.01 -0.06 0.00 -1.06 0.00 0.00 42.46 37.43 3ijx s ILE 152 CO 0.13 0.16 1.33 0.00 -0.10 0.00 0.00 174.94 176.47 3ijx h ALA 153 N 3.23 -0.49 -0.50 9.38 0.00 -2.00 -0.81 119.26 128.06 3ijx h ALA 153 Ca -0.47 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 3ijx h ALA 153 Cb 1.19 1.07 -0.02 0.00 0.00 0.00 0.00 17.79 20.03 3ijx h ALA 153 CO 0.65 -0.69 0.17 0.28 0.00 0.00 0.00 179.25 179.66 3ijx h VAL 154 N -0.15 1.20 0.00 0.00 2.07 -1.99 -3.03 116.25 114.35 3ijx h VAL 154 Ca 0.07 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 3ijx h VAL 154 Cb 0.32 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3ijx h VAL 154 CO -0.45 0.25 -0.39 -0.26 0.02 0.00 0.00 177.57 176.74 3ijx h PHE 155 N 0.72 0.00 -0.05 1.57 0.04 -1.80 -2.08 116.94 115.34 3ijx h PHE 155 Ca 0.17 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.84 3ijx h PHE 155 Cb 0.19 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.34 3ijx h PHE 155 CO 0.01 0.36 -0.36 0.22 -0.60 0.00 0.00 178.31 177.94 3ijx h ASP 156 N 0.00 0.41 0.29 2.17 3.58 -1.06 -2.60 116.42 119.22 3ijx h ASP 156 Ca -0.01 -0.68 -0.01 0.00 0.42 0.00 0.00 57.03 56.75 3ijx h ASP 156 Cb 1.28 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.21 3ijx h ASP 156 CO 0.05 1.02 -0.14 0.11 -2.88 0.00 0.00 179.24 177.40 3ijx h LYS 157 N -0.17 -0.38 -0.87 0.28 6.56 -1.54 0.39 116.57 120.84 3ijx h LYS 157 Ca -0.03 0.03 0.22 0.00 -1.06 0.00 0.00 60.65 59.81 3ijx h LYS 157 Cb 1.03 0.09 -0.13 0.00 -0.57 0.00 0.00 32.23 32.65 3ijx h LYS 157 CO 0.07 -0.23 0.30 0.52 -2.06 0.00 0.00 179.45 178.05 3ijx h MET 158 N -0.42 0.29 0.43 3.15 2.86 -1.43 -0.61 114.93 119.20 3ijx h MET 158 Ca -0.04 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3ijx h MET 158 Cb 0.32 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3ijx h MET 158 CO 0.07 0.19 -0.21 2.35 1.06 0.00 0.00 176.91 180.37 3ijx h TRP 159 N 0.30 -0.53 -0.98 -0.22 -0.00 -1.02 -2.38 115.95 111.11 3ijx h TRP 159 Ca 0.54 -0.01 0.34 0.00 -0.00 0.00 0.00 58.89 59.76 3ijx h TRP 159 Cb 1.06 0.18 -0.17 0.00 -0.00 0.00 0.00 29.16 30.23 3ijx h TRP 159 CO -0.20 -0.21 0.43 1.15 -0.00 0.00 0.00 178.44 179.60 3ijx h THR 160 N -0.90 0.14 0.33 2.65 2.02 0.49 0.22 112.91 117.87 3ijx h THR 160 Ca -0.06 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3ijx h THR 160 Cb 0.56 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3ijx h THR 160 CO 0.10 0.02 -0.16 0.22 0.37 0.00 0.00 175.52 176.07 3ijx h TYR 161 N 0.13 -0.41 -0.30 3.16 3.20 -1.04 -3.24 116.97 118.47 3ijx h TYR 161 Ca 0.73 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.60 3ijx h TYR 161 Cb 1.75 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 40.14 3ijx h TYR 161 CO -0.12 -0.10 0.20 0.52 -1.64 0.00 0.00 178.16 177.02 3ijx h MET 162 N -0.71 0.36 0.00 1.82 2.86 -0.09 -2.02 114.93 117.15 3ijx h MET 162 Ca -0.05 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 3ijx h MET 162 Cb 0.49 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3ijx h MET 162 CO 0.07 0.24 -0.31 0.07 1.06 0.00 0.00 176.91 178.05 3ijx h ARG 163 N 0.37 0.00 -0.07 1.72 0.11 -1.29 -3.33 114.38 111.90 3ijx h ARG 163 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 3ijx h ARG 163 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 3ijx h ARG 163 CO -0.03 0.00 0.00 0.43 0.10 0.00 0.00 179.97 180.47 3ijx n SER 164 N -2.51 2.12 -4.89 0.08 7.64 -0.89 -5.03 113.62 110.14 3ijx n SER 164 Ca 0.04 -1.92 -0.30 0.00 1.01 0.00 0.00 58.87 57.70 3ijx n SER 164 Cb 0.48 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.93 3.54 -0.06 -0.43 0.00 -0.81 -5.06 121.76 118.01 3ijx s ALA 165 Ca 0.05 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.55 3ijx s ALA 165 Cb 0.03 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.74 3ijx s ALA 165 CO 0.04 0.24 0.16 -1.21 0.00 0.00 0.00 175.76 174.99 3ijx s GLU 166 N -3.46 0.18 1.02 0.00 0.41 -1.26 -4.21 118.70 111.38 3ijx s GLU 166 Ca 0.47 0.25 -0.12 0.00 -0.41 0.00 0.00 54.97 55.16 3ijx s GLU 166 Cb -0.11 0.05 0.20 0.00 -1.78 0.00 0.00 34.13 32.50 3ijx s GLU 166 CO 0.28 -0.04 1.08 -2.14 -0.49 0.00 0.00 175.26 173.94 3ijx s PRO 167 N 0.25 0.20 0.11 0.39 0.02 -1.26 -5.05 135.00 129.66 3ijx s PRO 167 Ca -0.01 0.96 -0.35 0.00 0.02 0.00 0.00 61.00 61.61 3ijx s PRO 167 Cb -0.03 -1.68 -0.15 0.00 0.02 0.00 0.00 34.50 32.67 3ijx s PRO 167 CO -0.01 -3.00 1.49 0.45 -0.33 0.00 0.00 177.00 175.59 3ijx n SER 168 N -4.43 2.44 -0.13 2.53 2.88 -1.26 -4.86 113.62 110.80 3ijx n SER 168 Ca 0.06 1.10 0.14 0.00 -1.33 0.00 0.00 58.87 58.84 3ijx n SER 168 Cb 0.54 -1.31 0.63 0.00 -0.75 0.00 0.00 64.21 63.32 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 3.10 0.00 -3.22 2.46 0.24 -1.26 -4.86 118.33 114.78 3ijx n VAL 169 Ca 0.18 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.34 62.03 3ijx n VAL 169 Cb 0.24 -0.09 -0.06 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.41 3.79 0.34 6.34 0.08 -1.26 -3.75 117.98 121.11 3ijx s PHE 170 Ca 0.31 1.32 0.08 0.00 0.12 0.00 0.00 56.93 58.76 3ijx s PHE 170 Cb 0.20 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 3ijx s PHE 170 CO 0.46 0.54 0.12 0.14 -0.10 0.00 0.00 175.22 176.38 3ijx s VAL 171 N -1.18 2.99 -0.07 -0.44 -7.23 -1.12 -4.93 120.40 108.40 3ijx s VAL 171 Ca 0.32 -1.74 0.14 0.00 -1.81 0.00 0.00 61.98 58.90 3ijx s VAL 171 Cb -0.19 -2.95 -0.18 0.00 0.56 0.00 0.00 36.38 33.61 3ijx s VAL 171 CO 0.20 -0.19 0.77 0.08 -0.31 0.00 0.00 175.10 175.65 3ijx h ARG 172 N 1.59 0.00 -3.93 4.82 -0.00 -1.92 0.21 114.38 115.15 3ijx h ARG 172 Ca -0.44 0.00 -0.11 0.00 -0.00 0.00 0.00 59.98 59.43 3ijx h ARG 172 Cb 1.25 0.00 -0.16 0.00 -0.00 0.00 0.00 29.97 31.07 3ijx h ARG 172 CO 0.64 0.42 -0.52 0.95 -0.00 0.00 0.00 179.97 181.46 3ijx s THR 173 N -2.75 0.16 0.21 0.08 -4.23 -1.26 -4.62 115.64 103.24 3ijx s THR 173 Ca -0.03 -1.33 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 3ijx s THR 173 Cb 0.08 -1.22 0.15 0.00 1.34 0.00 0.00 72.50 72.85 3ijx s THR 173 CO 0.82 -0.73 1.84 0.74 -0.54 0.00 0.00 174.62 176.75 3ijx h THR 174 N 3.22 1.07 -0.62 3.99 2.02 -1.96 -1.54 112.91 119.09 3ijx h THR 174 Ca -0.33 -0.29 0.06 0.00 0.77 0.00 0.00 66.41 66.61 3ijx h THR 174 Cb 1.18 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.69 3ijx h THR 174 CO 0.57 0.15 0.33 0.00 0.37 0.00 0.00 175.52 176.94 3ijx h ALA 175 N 1.31 0.83 -0.97 6.16 0.00 -1.97 -0.86 119.26 123.76 3ijx h ALA 175 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3ijx h ALA 175 Cb 0.05 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 3ijx h ALA 175 CO -0.12 -0.01 0.62 1.49 0.00 0.00 0.00 179.25 181.24 3ijx h GLU 176 N 0.62 1.30 0.00 0.00 4.81 -1.72 -0.54 114.58 119.05 3ijx h GLU 176 Ca 0.28 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.30 3ijx h GLU 176 Cb 0.19 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3ijx h GLU 176 CO -0.19 0.88 -0.55 0.78 -0.73 0.00 0.00 179.01 179.20 3ijx h GLY 177 N 1.33 0.00 0.55 1.92 0.00 -0.69 -2.25 103.07 103.93 3ijx h GLY 177 Ca 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.64 3ijx h GLY 177 CO -0.07 0.00 -0.14 -2.08 0.00 0.00 0.00 176.54 174.24 3ijx h VAL 178 N 0.00 1.44 -0.46 4.60 2.07 -0.48 -3.00 116.25 120.42 3ijx h VAL 178 Ca -0.01 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.00 3ijx h VAL 178 Cb 1.07 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 3ijx h VAL 178 CO 0.07 0.42 0.31 0.00 0.02 0.00 0.00 177.57 178.39 3ijx h ALA 179 N 0.44 1.70 -0.32 1.67 0.00 -1.08 -1.83 119.26 119.83 3ijx h ALA 179 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ijx h ALA 179 Cb 0.76 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3ijx h ALA 179 CO 0.03 0.27 0.14 -0.09 0.00 0.00 0.00 179.25 179.61 3ijx h ARG 180 N 0.60 0.46 -0.02 0.00 2.43 -1.40 -0.84 114.38 115.61 3ijx h ARG 180 Ca 0.17 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3ijx h ARG 180 Cb -0.04 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.38 3ijx h ARG 180 CO -0.04 0.45 -0.45 0.28 -1.51 0.00 0.00 179.97 178.70 3ijx h VAL 181 N 0.37 0.12 0.42 0.20 2.07 -1.19 0.12 116.25 118.35 3ijx h VAL 181 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3ijx h VAL 181 Cb 0.14 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.00 3ijx h VAL 181 CO -0.01 0.00 -0.49 0.03 0.02 0.00 0.00 177.57 177.12 3ijx h ARG 182 N -0.58 -0.90 -0.16 1.57 3.08 -1.45 -2.64 114.38 113.30 3ijx h ARG 182 Ca 0.04 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3ijx h ARG 182 Cb 0.67 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3ijx h ARG 182 CO -0.34 -0.60 0.17 0.87 -1.07 0.00 0.00 179.97 179.00 3ijx h LYS 183 N -0.93 0.00 -0.29 0.04 1.57 -1.04 -2.97 116.57 112.95 3ijx h LYS 183 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ijx h LYS 183 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3ijx h LYS 183 CO -0.10 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.21 3ijx n SER 184 N -3.87 1.76 -3.64 0.86 7.64 0.40 -4.92 113.62 111.85 3ijx n SER 184 Ca 0.01 -1.91 -0.27 0.00 1.01 0.00 0.00 58.87 57.71 3ijx n SER 184 Cb 0.29 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.43 -5.47 -1.46 1.43 5.02 -1.12 -1.99 118.16 115.00 3ijx n LYS 185 Ca 0.13 0.66 -0.01 0.00 -2.02 0.00 0.00 58.31 57.07 3ijx n LYS 185 Cb 0.30 -5.55 -0.00 0.00 -0.02 0.00 0.00 35.03 29.75 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 -1.63 0.41 0.05 0.72 0.00 -1.26 -4.90 105.19 98.58 3ijx n GLY 186 Ca 0.01 -0.95 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.17 2.76 -3.66 1.61 4.76 -0.84 -4.88 118.16 115.74 3ijx n LYS 187 Ca -0.01 -1.68 -0.22 0.00 -2.87 0.00 0.00 58.31 53.53 3ijx n LYS 187 Cb 0.24 -1.09 -0.18 0.00 -1.84 0.00 0.00 35.03 32.17 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 -1.27 0.11 0.19 2.13 5.04 -1.26 -1.70 117.35 120.60 3ijx s TYR 188 Ca 0.06 0.10 -0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3ijx s TYR 188 Cb 0.05 -0.54 -0.04 0.00 0.35 0.00 0.00 41.96 41.77 3ijx s TYR 188 CO 0.01 -0.28 0.37 0.00 -1.34 0.00 0.00 175.55 174.31 3ijx s ALA 189 N 2.16 3.86 -0.14 3.97 0.00 0.54 -4.56 121.76 127.58 3ijx s ALA 189 Ca 0.04 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3ijx s ALA 189 Cb -0.13 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.06 3ijx s ALA 189 CO -0.05 0.46 -0.16 -0.47 0.00 0.00 0.00 175.76 175.54 3ijx s TYR 190 N -1.84 2.25 -0.53 0.00 5.04 0.05 -3.08 117.35 119.25 3ijx s TYR 190 Ca 0.38 -1.22 -0.22 0.00 -2.44 0.00 0.00 57.07 53.56 3ijx s TYR 190 Cb -0.11 -1.62 0.05 0.00 0.35 0.00 0.00 41.96 40.62 3ijx s TYR 190 CO 0.29 -0.64 0.83 -0.51 -1.34 0.00 0.00 175.55 174.18 3ijx s LEU 191 N 1.27 4.38 0.23 6.97 1.43 -0.33 -0.67 118.68 131.96 3ijx s LEU 191 Ca 0.01 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3ijx s LEU 191 Cb -0.14 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.32 3ijx s LEU 191 CO -0.08 -1.10 0.09 -1.48 0.23 0.00 0.00 176.35 174.01 3ijx s LEU 192 N 3.49 1.61 0.69 1.79 2.34 -1.03 -4.25 118.68 123.33 3ijx s LEU 192 Ca 0.26 -1.35 -0.15 0.00 0.06 0.00 0.00 54.13 52.95 3ijx s LEU 192 Cb -0.15 0.09 0.02 0.00 -0.56 0.00 0.00 46.19 45.60 3ijx s LEU 192 CO 0.17 -0.73 1.13 -1.61 -1.06 0.00 0.00 176.35 174.26 3ijx s GLU 193 N -4.04 2.54 0.11 1.48 2.02 -1.26 -0.91 118.70 118.63 3ijx s GLU 193 Ca 0.36 1.48 -0.21 0.00 0.02 0.00 0.00 54.97 56.61 3ijx s GLU 193 Cb 0.07 -1.91 -0.10 0.00 0.10 0.00 0.00 34.13 32.30 3ijx s GLU 193 CO 0.12 -1.47 1.76 0.66 0.02 0.00 0.00 175.26 176.34 3ijx h SER 194 N -0.18 0.11 -0.93 -0.19 4.64 0.20 -2.53 113.55 114.66 3ijx h SER 194 Ca -0.47 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.97 3ijx h SER 194 Cb 1.26 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 3ijx h SER 194 CO 0.52 0.08 0.56 0.71 -0.87 0.00 0.00 176.83 177.83 3ijx h THR 195 N 0.14 0.88 -0.13 2.95 1.35 -1.87 0.88 112.91 117.12 3ijx h THR 195 Ca 0.05 -0.30 -0.15 0.00 -0.55 0.00 0.00 66.41 65.46 3ijx h THR 195 Cb -0.01 -0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 66.34 3ijx h THR 195 CO -0.02 0.16 -0.55 0.24 -0.25 0.00 0.00 175.52 175.10 3ijx h MET 196 N 0.88 0.38 0.59 4.72 2.86 -1.91 -2.39 114.93 120.06 3ijx h MET 196 Ca 0.46 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.84 3ijx h MET 196 Cb 0.48 0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.18 3ijx h MET 196 CO -0.28 0.83 -0.28 -0.97 1.06 0.00 0.00 176.91 177.27 3ijx h ASN 197 N 0.29 -0.67 -0.52 1.22 -0.73 -0.76 -2.23 115.58 112.18 3ijx h ASN 197 Ca 0.00 -0.01 0.09 0.00 1.87 0.00 0.00 56.30 58.25 3ijx h ASN 197 Cb 1.06 0.17 -0.03 0.00 0.27 0.00 0.00 38.32 39.79 3ijx h ASN 197 CO 0.09 -0.42 0.35 -0.33 -0.37 0.00 0.00 177.43 176.75 3ijx h GLU 198 N -0.88 0.34 -0.15 6.67 5.08 -0.88 -0.50 114.58 124.25 3ijx h GLU 198 Ca -0.08 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3ijx h GLU 198 Cb 0.64 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 3ijx h GLU 198 CO 0.13 0.22 -0.20 -0.92 -1.00 0.00 0.00 179.01 177.25 3ijx h TYR 199 N 0.35 0.50 -0.33 4.33 3.20 -1.30 -3.19 116.97 120.52 3ijx h TYR 199 Ca 0.24 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3ijx h TYR 199 Cb 0.48 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3ijx h TYR 199 CO -0.00 0.82 0.16 0.82 -1.64 0.00 0.00 178.16 178.32 3ijx h ILE 200 N 0.03 1.16 -0.07 1.81 1.08 -0.66 -2.03 117.51 118.84 3ijx h ILE 200 Ca 0.02 -0.47 0.02 0.00 -0.39 0.00 0.00 64.86 64.03 3ijx h ILE 200 Cb 0.76 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.37 3ijx h ILE 200 CO 0.05 0.17 0.66 -0.08 -0.69 0.00 0.00 178.15 178.26 3ijx h GLU 201 N 0.40 0.00 -0.57 2.37 4.81 -1.14 0.15 114.58 120.59 3ijx h GLU 201 Ca 0.11 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3ijx h GLU 201 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3ijx h GLU 201 CO -0.01 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.31 3ijx n GLN 202 N -2.78 2.75 -4.38 1.92 1.13 -0.76 -4.86 117.38 110.40 3ijx n GLN 202 Ca 0.00 -2.41 -0.28 0.00 -1.94 0.00 0.00 57.00 52.37 3ijx n GLN 202 Cb 0.71 -1.45 -0.12 0.00 0.11 0.00 0.00 30.24 29.48 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 -1.02 1.52 0.59 -1.09 1.81 0.51 -1.12 118.95 120.15 3ijx s ARG 203 Ca 0.39 -1.36 -0.20 0.00 -1.72 0.00 0.00 55.73 52.84 3ijx s ARG 203 Cb 0.20 -1.94 -0.03 0.00 -0.45 0.00 0.00 34.95 32.73 3ijx s ARG 203 CO 0.27 0.44 1.33 0.15 -0.68 0.00 0.00 175.30 176.81 3ijx s LYS 204 N -2.25 2.91 -0.00 3.54 1.02 -1.26 -1.57 119.74 122.12 3ijx s LYS 204 Ca 0.17 2.15 0.08 0.00 0.02 0.00 0.00 55.97 58.39 3ijx s LYS 204 Cb -0.10 -2.09 0.22 0.00 -0.52 0.00 0.00 37.83 35.35 3ijx s LYS 204 CO 0.08 -1.34 1.18 -0.35 -0.92 0.00 0.00 175.35 174.00 3ijx n PRO 205 N -1.38 1.58 -1.73 -1.68 -0.05 -1.26 -4.94 135.00 125.53 3ijx n PRO 205 Ca 0.13 -0.90 -0.07 0.00 -0.05 0.00 0.00 63.50 62.61 3ijx n PRO 205 Cb 0.46 -1.20 -0.02 0.00 -0.05 0.00 0.00 33.50 32.70 3ijx n PRO 205 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ijx n ASP 207 N 0.72 0.77 -4.98 0.00 5.75 -1.26 -4.91 116.55 112.64 3ijx n ASP 207 Ca -0.08 -0.57 -0.20 0.00 -0.01 0.00 0.00 54.79 53.93 3ijx n ASP 207 Cb 0.42 0.33 -0.01 0.00 -1.03 0.00 0.00 41.12 40.84 3ijx n ASP 207 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3ijx s THR 208 N -2.85 4.62 -0.06 2.12 -4.23 -1.26 -0.81 115.64 113.16 3ijx s THR 208 Ca 0.14 -0.95 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 3ijx s THR 208 Cb 0.18 -3.62 0.06 0.00 1.34 0.00 0.00 72.50 70.46 3ijx s THR 208 CO 0.67 -0.25 0.62 -0.32 -0.54 0.00 0.00 174.62 174.80 3ijx s MET 209 N -4.11 0.98 -0.26 3.99 -2.45 -0.88 -4.72 119.30 111.84 3ijx s MET 209 Ca 0.40 0.24 -0.12 0.00 -1.25 0.00 0.00 55.69 54.96 3ijx s MET 209 Cb -0.09 0.46 -0.05 0.00 1.25 0.00 0.00 34.83 36.40 3ijx s MET 209 CO 0.31 -0.29 0.25 0.21 1.05 0.00 0.00 175.02 176.55 3ijx s LYS 210 N -1.10 4.02 0.07 4.11 2.36 -1.26 -2.81 119.74 125.13 3ijx s LYS 210 Ca -0.11 -0.17 0.07 0.00 -2.55 0.00 0.00 55.97 53.22 3ijx s LYS 210 Cb -0.01 -3.62 -0.04 0.00 -1.05 0.00 0.00 37.83 33.11 3ijx s LYS 210 CO 0.08 -0.14 -0.13 0.14 1.55 0.00 0.00 175.35 176.85 3ijx s VAL 211 N 1.64 3.14 0.00 4.02 -7.23 -1.20 -5.04 120.40 115.73 3ijx s VAL 211 Ca 0.10 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 3ijx s VAL 211 Cb -0.15 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.38 3ijx s VAL 211 CO 0.09 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 3ijx n GLY 212 N 1.09 -3.45 3.97 2.32 0.00 -1.25 -4.09 105.19 103.77 3ijx n GLY 212 Ca -0.15 -1.93 -0.21 0.00 0.00 0.00 0.00 46.02 43.74 3ijx n GLY 212 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ijx s GLY 213 N -0.58 1.25 0.69 -0.02 0.00 -1.26 -4.99 107.32 102.41 3ijx s GLY 213 Ca 0.00 -1.26 -0.17 0.00 0.00 0.00 0.00 44.72 43.30 3ijx s GLY 213 CO 0.00 -1.27 1.26 -1.31 0.00 0.00 0.00 173.10 171.78 3ijx s ASN 214 N -3.99 4.35 0.35 1.64 0.01 -1.26 -4.88 114.94 111.16 3ijx s ASN 214 Ca 0.35 2.52 0.22 0.00 -0.71 0.00 0.00 52.86 55.24 3ijx s ASN 214 Cb -0.09 -2.61 0.20 0.00 0.41 0.00 0.00 41.25 39.17 3ijx s ASN 214 CO 0.29 -2.17 1.42 -0.07 -1.51 0.00 0.00 177.10 175.06 3ijx h LEU 215 N 0.13 0.00 -7.99 0.60 4.07 -1.12 -3.48 115.31 107.53 3ijx h LEU 215 Ca -0.49 0.00 0.09 0.00 0.08 0.00 0.00 57.88 57.56 3ijx h LEU 215 Cb 1.32 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.04 3ijx h LEU 215 CO 0.51 0.09 0.48 1.51 -1.08 0.00 0.00 178.44 179.95 3ijx s ASP 216 N -6.03 0.02 -0.04 -0.43 -4.77 -1.26 -4.96 116.67 99.19 3ijx s ASP 216 Ca 0.04 -0.87 0.01 0.00 -3.30 0.00 0.00 52.55 48.43 3ijx s ASP 216 Cb 0.07 0.63 0.02 0.00 -1.09 0.00 0.00 42.92 42.55 3ijx s ASP 216 CO 0.71 -1.26 -0.03 -0.44 0.70 0.00 0.00 175.17 174.85 3ijx s SER 217 N -3.31 0.82 0.00 2.11 0.01 -1.26 -3.80 113.70 108.27 3ijx s SER 217 Ca 0.20 -0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.37 3ijx s SER 217 Cb -0.04 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.82 3ijx s SER 217 CO 0.08 -0.08 0.00 2.29 0.41 0.00 0.00 173.24 175.94 3ijx n LYS 218 N 4.13 0.00 -3.55 12.44 2.85 -0.53 -5.02 118.16 128.48 3ijx n LYS 218 Ca -0.24 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 56.91 3ijx n LYS 218 Cb 0.51 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.86 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 -0.62 -0.44 -0.21 2.58 0.00 -1.26 -1.90 107.32 105.47 3ijx s GLY 219 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 44.72 44.79 3ijx s GLY 219 CO 0.00 0.03 0.35 -0.19 0.00 0.00 0.00 173.10 173.30 3ijx s TYR 220 N -3.80 3.36 0.27 1.90 2.02 -0.74 -1.31 117.35 119.05 3ijx s TYR 220 Ca 0.04 0.54 0.09 0.00 -0.37 0.00 0.00 57.07 57.37 3ijx s TYR 220 Cb -0.02 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 39.02 3ijx s TYR 220 CO -0.08 0.00 0.02 0.20 -1.57 0.00 0.00 175.55 174.12 3ijx s GLY 221 N 1.05 1.65 0.13 0.71 0.00 -0.89 -0.97 107.32 108.99 3ijx s GLY 221 Ca 0.17 -1.64 -0.21 0.00 0.00 0.00 0.00 44.72 43.03 3ijx s GLY 221 CO 0.07 -1.70 0.66 -0.42 0.00 0.00 0.00 173.10 171.72 3ijx s ILE 222 N -2.31 4.58 0.04 0.90 1.01 -1.26 -4.48 121.20 119.67 3ijx s ILE 222 Ca 0.32 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.41 3ijx s ILE 222 Cb -0.06 -3.98 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 3ijx s ILE 222 CO 0.20 0.50 -0.10 0.00 0.00 0.00 0.00 174.94 175.54 3ijx s ALA 223 N -1.18 2.90 0.08 9.38 0.00 -0.40 -1.04 121.76 131.50 3ijx s ALA 223 Ca 0.33 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3ijx s ALA 223 Cb -0.20 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 3ijx s ALA 223 CO 0.22 0.61 -0.06 0.95 0.00 0.00 0.00 175.76 177.48 3ijx s THR 224 N -1.03 0.58 0.33 0.00 -4.23 -0.83 -0.68 115.64 109.78 3ijx s THR 224 Ca 0.18 -1.79 -0.28 0.00 -1.18 0.00 0.00 61.69 58.61 3ijx s THR 224 Cb -0.11 -1.49 -0.12 0.00 1.34 0.00 0.00 72.50 72.11 3ijx s THR 224 CO 0.08 -0.83 1.34 -2.65 -0.54 0.00 0.00 174.62 172.03 3ijx n PRO 225 N 0.20 2.20 -1.68 3.99 -0.02 -1.26 -1.77 135.00 136.67 3ijx n PRO 225 Ca -0.14 0.77 -0.51 0.00 -2.02 0.00 0.00 63.50 61.60 3ijx n PRO 225 Cb 0.60 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 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 0.78 1.73 -0.89 -0.52 3.00 -1.25 -1.04 118.16 119.97 3ijx n LYS 226 Ca 0.05 0.63 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 3ijx n LYS 226 Cb 0.36 -2.39 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 3.90 0.70 3.70 3.14 0.00 -1.26 -4.97 105.19 110.40 3ijx n GLY 227 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.36 3.57 0.13 1.61 0.15 -0.21 -4.97 113.70 111.62 3ijx s SER 228 Ca 0.00 2.18 0.14 0.00 0.70 0.00 0.00 55.95 58.97 3ijx s SER 228 Cb 0.00 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.64 3ijx s SER 228 CO 0.00 -2.67 1.09 0.77 1.20 0.00 0.00 173.24 173.63 3ijx h SER 229 N -1.26 0.00 -0.95 5.45 4.64 -1.96 -3.29 113.55 116.19 3ijx h SER 229 Ca -0.45 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 60.95 3ijx h SER 229 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 3ijx h SER 229 CO 0.46 0.71 0.61 -0.07 -0.87 0.00 0.00 176.83 177.67 3ijx h LEU 230 N 0.00 0.95 -1.10 5.97 3.38 -1.95 -3.06 115.31 119.49 3ijx h LEU 230 Ca -0.10 0.01 0.43 0.00 0.09 0.00 0.00 57.88 58.31 3ijx h LEU 230 Cb 1.63 -0.19 -0.17 0.00 0.09 0.00 0.00 40.66 42.02 3ijx h LEU 230 CO 0.07 0.60 0.63 1.23 0.09 0.00 0.00 178.44 181.07 3ijx h GLY 231 N 1.07 2.03 0.34 0.83 0.00 -1.92 0.42 103.07 105.83 3ijx h GLY 231 Ca 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 3ijx h GLY 231 CO -0.16 -0.71 -0.13 -0.57 0.00 0.00 0.00 176.54 174.97 3ijx h ASN 232 N 0.02 -0.30 -0.03 0.19 -1.24 -1.78 -3.02 115.58 109.41 3ijx h ASN 232 Ca 0.85 -0.13 0.01 0.00 0.71 0.00 0.00 56.30 57.74 3ijx h ASN 232 Cb 2.38 0.08 -0.01 0.00 0.73 0.00 0.00 38.32 41.50 3ijx h ASN 232 CO -0.68 0.19 -0.01 0.00 -1.29 0.00 0.00 177.43 175.64 3ijx h ALA 233 N -0.81 0.02 -0.65 1.57 0.00 -1.38 -2.73 119.26 115.28 3ijx h ALA 233 Ca -0.04 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.00 3ijx h ALA 233 Cb 0.42 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.15 3ijx h ALA 233 CO 0.06 -0.50 0.21 0.28 0.00 0.00 0.00 179.25 179.30 3ijx h VAL 234 N -0.00 0.68 0.53 0.00 2.07 -1.13 0.10 116.25 118.50 3ijx h VAL 234 Ca 0.02 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3ijx h VAL 234 Cb 0.02 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3ijx h VAL 234 CO -0.03 0.07 -0.43 -1.13 0.02 0.00 0.00 177.57 176.06 3ijx h ASN 235 N 0.36 -1.15 -0.94 0.57 -1.24 -1.36 -1.17 115.58 110.65 3ijx h ASN 235 Ca 0.35 0.08 0.24 0.00 0.71 0.00 0.00 56.30 57.68 3ijx h ASN 235 Cb 0.49 0.36 -0.13 0.00 0.73 0.00 0.00 38.32 39.78 3ijx h ASN 235 CO -0.38 -0.60 0.45 -0.07 -1.29 0.00 0.00 177.43 175.54 3ijx h LEU 236 N -0.93 0.40 -0.53 0.34 3.38 -1.14 0.26 115.31 117.09 3ijx h LEU 236 Ca -0.07 0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3ijx h LEU 236 Cb 0.78 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3ijx h LEU 236 CO -0.00 -0.02 0.20 0.00 0.09 0.00 0.00 178.44 178.71 3ijx h ALA 237 N 1.75 0.66 -0.06 1.53 0.00 -0.25 -1.52 119.26 121.37 3ijx h ALA 237 Ca 0.61 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.60 3ijx h ALA 237 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3ijx h ALA 237 CO -0.55 -0.19 -0.07 0.28 0.00 0.00 0.00 179.25 178.73 3ijx h VAL 238 N 0.39 0.80 -0.17 0.00 2.07 0.73 -1.72 116.25 118.36 3ijx h VAL 238 Ca 0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 3ijx h VAL 238 Cb 0.26 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3ijx h VAL 238 CO -0.24 0.00 -0.10 -0.07 0.02 0.00 0.00 177.57 177.18 3ijx h LEU 239 N -0.09 -0.32 -0.01 2.57 -0.00 -1.06 -0.93 115.31 115.46 3ijx h LEU 239 Ca 0.05 0.07 0.02 0.00 -0.00 0.00 0.00 57.88 58.03 3ijx h LEU 239 Cb 0.16 0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 40.94 3ijx h LEU 239 CO -0.11 -0.13 -0.51 0.50 -0.00 0.00 0.00 178.44 178.19 3ijx h LYS 240 N -0.09 -0.62 -0.31 1.13 1.63 -1.15 -1.44 116.57 115.72 3ijx h LYS 240 Ca 0.10 0.04 0.09 0.00 -0.85 0.00 0.00 60.65 60.03 3ijx h LYS 240 Cb 0.24 0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3ijx h LYS 240 CO -0.23 -0.41 0.22 -0.07 -3.45 0.00 0.00 179.45 175.51 3ijx h LEU 241 N -0.64 0.01 0.23 5.20 3.38 -1.05 -1.28 115.31 121.17 3ijx h LEU 241 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ijx h LEU 241 Cb 0.71 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3ijx h LEU 241 CO -0.36 0.01 -0.11 -1.28 0.09 0.00 0.00 178.44 176.79 3ijx h SER 242 N 0.01 -0.27 0.18 -0.43 0.87 -0.56 -1.83 113.55 111.53 3ijx h SER 242 Ca 0.15 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3ijx h SER 242 Cb 0.57 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3ijx h SER 242 CO -0.00 0.21 -0.05 -0.33 -0.53 0.00 0.00 176.83 176.13 3ijx h GLU 243 N -0.85 0.00 0.00 2.24 5.08 -0.82 -0.88 114.58 119.34 3ijx h GLU 243 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3ijx h GLU 243 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3ijx h GLU 243 CO 0.05 0.05 -0.14 1.04 -1.00 0.00 0.00 179.01 179.02 3ijx n GLN 244 N -3.66 0.11 0.00 2.33 1.13 -0.52 -4.93 117.38 111.83 3ijx n GLN 244 Ca -0.02 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 3ijx n GLN 244 Cb 0.15 -1.61 0.00 0.00 0.11 0.00 0.00 30.24 28.89 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 1.43 0.32 0.30 1.08 0.00 -0.34 -5.00 105.19 102.98 3ijx n GLY 245 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.73 -1.12 0.99 5.85 -1.52 -1.95 115.31 116.83 3ijx h LEU 246 Ca 0.00 0.07 0.22 0.00 0.84 0.00 0.00 57.88 59.01 3ijx h LEU 246 Cb 0.00 0.26 -0.10 0.00 0.37 0.00 0.00 40.66 41.19 3ijx h LEU 246 CO 0.00 -0.38 0.62 -0.07 -0.34 0.00 0.00 178.44 178.27 3ijx h LEU 247 N -0.53 0.67 0.04 2.25 3.38 -1.84 -0.05 115.31 119.22 3ijx h LEU 247 Ca 0.01 0.10 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 3ijx h LEU 247 Cb 0.52 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3ijx h LEU 247 CO -0.09 0.20 -1.25 0.44 0.09 0.00 0.00 178.44 177.82 3ijx h ASP 248 N 0.63 0.12 -0.18 -0.43 3.32 -1.85 -2.17 116.42 115.86 3ijx h ASP 248 Ca 0.59 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.44 3ijx h ASP 248 Cb 1.09 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.59 3ijx h ASP 248 CO -0.37 1.12 -0.02 0.50 -1.72 0.00 0.00 179.24 178.76 3ijx h LYS 249 N 0.02 0.45 0.12 3.56 3.64 -0.48 -2.67 116.57 121.20 3ijx h LYS 249 Ca -0.12 -0.09 -0.27 0.00 -1.27 0.00 0.00 60.65 58.90 3ijx h LYS 249 Cb 1.88 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.64 3ijx h LYS 249 CO 0.14 0.50 -1.21 1.25 -2.27 0.00 0.00 179.45 177.85 3ijx h LEU 250 N 0.44 0.46 -1.06 5.20 5.85 -0.97 -2.55 115.31 122.67 3ijx h LEU 250 Ca 0.09 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3ijx h LEU 250 Cb 0.32 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3ijx h LEU 250 CO 0.01 1.35 0.46 0.50 -0.34 0.00 0.00 178.44 180.43 3ijx h LYS 251 N 0.10 1.12 -0.31 1.25 3.64 -1.31 -2.05 116.57 119.01 3ijx h LYS 251 Ca -0.13 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3ijx h LYS 251 Cb 1.92 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 3ijx h LYS 251 CO 0.20 0.80 0.19 -0.91 -2.27 0.00 0.00 179.45 177.47 3ijx h ASN 252 N 1.13 0.36 -0.78 4.20 2.35 -1.36 -1.76 115.58 119.71 3ijx h ASN 252 Ca 0.29 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3ijx h ASN 252 Cb -0.00 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3ijx h ASN 252 CO -0.05 0.29 0.50 0.50 -1.65 0.00 0.00 177.43 177.02 3ijx h LYS 253 N 0.40 1.05 0.00 0.81 3.64 -0.96 0.44 116.57 121.94 3ijx h LYS 253 Ca 0.11 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ijx h LYS 253 Cb -0.02 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 3ijx h LYS 253 CO -0.02 0.71 -0.99 0.91 -2.27 0.00 0.00 179.45 177.78 3ijx n TRP 254 N -4.40 0.00 -0.10 1.91 7.02 -0.90 -4.26 117.44 116.70 3ijx n TRP 254 Ca 0.09 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.35 3ijx n TRP 254 Cb 0.04 -0.06 -0.08 0.00 -2.42 0.00 0.00 31.31 28.80 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 -1.53 0.00 -0.05 -5.99 8.01 -0.67 -4.85 117.44 112.36 3ijx n TRP 255 Ca 0.03 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.10 3ijx n TRP 255 Cb 0.31 -0.75 -0.04 0.00 -2.01 0.00 0.00 31.31 28.82 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 -3.85 0.00 0.00 -5.99 4.01 -0.59 -4.09 117.16 106.65 3ijx n TYR 256 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 3ijx n TYR 256 Cb 0.80 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 -3.45 0.00 -0.32 7.72 8.00 0.04 0.90 116.55 129.44 3ijx n ASP 257 Ca -0.21 0.12 0.04 0.00 0.71 0.00 0.00 54.79 55.45 3ijx n ASP 257 Cb 0.65 -0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.67 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 -1.08 0.26 -1.53 -1.24 5.02 -1.26 -5.05 118.16 113.28 3ijx n LYS 258 Ca 0.00 -1.02 -0.45 0.00 -2.02 0.00 0.00 58.31 54.82 3ijx n LYS 258 Cb 0.01 -1.15 -0.01 0.00 -0.02 0.00 0.00 35.03 33.86 3ijx n LYS 258 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ijx n GLY 259 N 0.43 -0.75 0.18 0.72 0.00 0.26 -4.93 105.19 101.09 3ijx n GLY 259 Ca 0.05 0.28 0.09 0.00 0.00 0.00 0.00 46.02 46.43 3ijx n GLY 259 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ijx n GLU 260 N 0.73 1.16 0.00 1.61 1.02 -0.27 -5.06 120.64 119.83 3ijx n GLU 260 Ca 0.12 -2.48 0.00 0.00 -0.02 0.00 0.00 57.16 54.78 3ijx n GLU 260 Cb 0.32 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3ijx n GLU 260 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31