#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ij6 s THR 3 N 0.00 3.30 -0.02 1.47 -1.32 -1.26 -5.03 115.64 112.78 3ij6 s THR 3 Ca 0.00 1.23 -0.19 0.00 -1.21 0.00 0.00 61.69 61.52 3ij6 s THR 3 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 72.50 67.18 3ij6 s THR 3 CO 0.00 0.24 0.55 -0.54 -2.21 0.00 0.00 174.62 172.66 3ij6 s LYS 4 N -1.78 4.26 -0.40 7.08 1.02 0.24 -4.62 119.74 125.54 3ij6 s LYS 4 Ca 0.49 0.65 -0.12 0.00 0.02 0.00 0.00 55.97 57.01 3ij6 s LYS 4 Cb -0.32 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3ij6 s LYS 4 CO 0.41 0.39 0.25 0.42 -0.92 0.00 0.00 175.35 175.91 3ij6 s ILE 5 N -0.24 4.66 -0.75 2.17 -1.09 0.26 -0.60 121.20 125.60 3ij6 s ILE 5 Ca 0.29 -0.97 -0.26 0.00 -2.23 0.00 0.00 60.65 57.48 3ij6 s ILE 5 Cb -0.18 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3ij6 s ILE 5 CO 0.16 -0.34 1.43 -0.62 -1.23 0.00 0.00 174.94 174.34 3ij6 s ASP 6 N 1.78 6.00 0.00 3.58 2.15 0.03 -4.50 116.67 125.71 3ij6 s ASP 6 Ca 0.03 -0.43 0.27 0.00 0.43 0.00 0.00 52.55 52.85 3ij6 s ASP 6 Cb -0.20 -2.56 1.17 0.00 -0.30 0.00 0.00 42.92 41.03 3ij6 s ASP 6 CO 0.06 -1.93 1.88 0.00 -0.17 0.00 0.00 175.17 175.01 3ij6 n ALA 7 N 10.12 2.26 -3.44 3.66 0.00 0.00 -0.44 120.51 132.67 3ij6 n ALA 7 Ca 0.11 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 3ij6 n ALA 7 Cb 0.50 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.40 3ij6 n ALA 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ij6 s TYR 8 N -3.00 1.13 0.16 0.00 6.04 -1.26 -4.66 117.35 115.76 3ij6 s TYR 8 Ca 0.13 -2.19 0.10 0.00 0.04 0.00 0.00 57.07 55.15 3ij6 s TYR 8 Cb 0.18 -1.03 -0.04 0.00 -1.04 0.00 0.00 41.96 40.03 3ij6 s TYR 8 CO 0.50 -0.82 -0.21 0.00 -1.54 0.00 0.00 175.55 173.49 3ij6 s ALA 9 N 0.27 2.61 0.10 3.97 0.00 -0.91 -1.37 121.76 126.42 3ij6 s ALA 9 Ca 0.28 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.79 3ij6 s ALA 9 Cb -0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3ij6 s ALA 9 CO -0.14 0.50 -0.03 -1.01 0.00 0.00 0.00 175.76 175.08 3ij6 s HIS 10 N -1.42 2.91 0.01 0.00 0.09 0.18 -0.60 115.29 116.46 3ij6 s HIS 10 Ca 0.19 -0.07 -0.05 0.00 -0.00 0.00 0.00 55.06 55.13 3ij6 s HIS 10 Cb -0.09 -1.50 -0.00 0.00 -0.00 0.00 0.00 32.58 30.98 3ij6 s HIS 10 CO 0.10 0.47 0.09 -1.50 -0.00 0.00 0.00 174.74 173.89 3ij6 s ILE 11 N -1.29 0.09 -0.47 0.60 2.07 0.60 -4.35 121.20 118.44 3ij6 s ILE 11 Ca 0.24 -0.72 0.04 0.00 -1.41 0.00 0.00 60.65 58.80 3ij6 s ILE 11 Cb -0.11 -0.37 0.12 0.00 0.13 0.00 0.00 42.46 42.23 3ij6 s ILE 11 CO 0.17 -0.40 0.21 -0.76 -1.91 0.00 0.00 174.94 172.25 3ij6 s LEU 12 N -1.34 4.25 0.44 8.50 1.02 0.29 -3.21 118.68 128.63 3ij6 s LEU 12 Ca -0.14 -2.79 -0.25 0.00 0.02 0.00 0.00 54.13 50.97 3ij6 s LEU 12 Cb -0.08 -1.58 -0.08 0.00 0.02 0.00 0.00 46.19 44.47 3ij6 s LEU 12 CO 0.01 -0.27 1.34 -2.84 0.02 0.00 0.00 176.35 174.61 3ij6 s PRO 13 N 0.03 3.78 0.11 1.29 0.02 -1.26 -4.32 135.00 134.65 3ij6 s PRO 13 Ca 0.16 2.22 -0.26 0.00 0.02 0.00 0.00 61.00 63.13 3ij6 s PRO 13 Cb -0.24 -2.65 -0.08 0.00 0.02 0.00 0.00 34.50 31.55 3ij6 s PRO 13 CO -0.02 -0.67 1.65 0.00 -0.33 0.00 0.00 177.00 177.63 3ij6 h ALA 14 N 2.40 -0.36 -0.39 -1.55 0.00 -1.95 -1.61 119.26 115.79 3ij6 h ALA 14 Ca -0.50 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 3ij6 h ALA 14 Cb 1.26 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3ij6 h ALA 14 CO 0.61 -0.75 -0.16 0.87 0.00 0.00 0.00 179.25 179.82 3ij6 h LYS 15 N -0.41 0.73 -0.41 0.00 1.57 -1.97 -2.48 116.57 113.60 3ij6 h LYS 15 Ca 0.03 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3ij6 h LYS 15 Cb 0.44 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3ij6 h LYS 15 CO -0.14 0.85 -0.02 -0.92 -0.57 0.00 0.00 179.45 178.65 3ij6 h TYR 16 N 0.65 0.80 -0.58 -1.35 3.20 -1.89 -2.25 116.97 115.54 3ij6 h TYR 16 Ca 0.10 -0.15 -0.09 0.00 3.14 0.00 0.00 58.73 61.74 3ij6 h TYR 16 Cb 0.64 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3ij6 h TYR 16 CO 0.03 0.82 0.03 -0.92 -1.64 0.00 0.00 178.16 176.48 3ij6 h TYR 17 N 0.56 1.09 0.00 -3.82 3.20 -1.19 -1.80 116.97 115.02 3ij6 h TYR 17 Ca 0.11 -0.18 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 3ij6 h TYR 17 Cb 0.51 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 3ij6 h TYR 17 CO 0.04 0.97 -0.42 1.96 -1.64 0.00 0.00 178.16 179.06 3ij6 h GLN 18 N 0.91 0.00 -0.28 1.82 1.08 -1.47 -2.24 115.11 114.93 3ij6 h GLN 18 Ca 0.17 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.24 3ij6 h GLN 18 Cb 0.51 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 3ij6 h GLN 18 CO 0.02 0.42 -0.38 0.87 -0.95 0.00 0.00 178.83 178.82 3ij6 h LYS 19 N 0.00 0.65 0.00 1.46 1.57 -1.16 -3.07 116.57 116.02 3ij6 h LYS 19 Ca -0.00 -0.32 -0.11 0.00 -1.87 0.00 0.00 60.65 58.35 3ij6 h LYS 19 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 3ij6 h LYS 19 CO 0.06 0.92 -0.50 0.52 -0.57 0.00 0.00 179.45 179.87 3ij6 h MET 20 N 0.54 0.00 0.00 3.15 2.86 -0.97 -2.77 114.93 117.74 3ij6 h MET 20 Ca 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.59 3ij6 h MET 20 Cb 0.89 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3ij6 h MET 20 CO 0.08 0.50 -0.48 -0.07 1.06 0.00 0.00 176.91 178.00 3ij6 h LEU 21 N 0.00 0.00 -0.87 1.22 3.38 -1.43 -0.46 115.31 117.16 3ij6 h LEU 21 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3ij6 h LEU 21 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3ij6 h LEU 21 CO 0.07 0.48 -0.50 0.28 0.09 0.00 0.00 178.44 178.86 3ij6 h SER 22 N 0.00 0.17 -0.02 -0.43 0.02 -1.40 -2.52 113.55 109.37 3ij6 h SER 22 Ca -0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3ij6 h SER 22 Cb 0.96 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.45 3ij6 h SER 22 CO 0.06 0.64 -0.03 0.58 -1.14 0.00 0.00 176.83 176.94 3ij6 h VAL 23 N 0.13 1.46 -2.42 2.27 2.07 -1.23 -3.45 116.25 115.07 3ij6 h VAL 23 Ca 0.00 -1.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.07 3ij6 h VAL 23 Cb 0.93 2.36 -0.26 0.00 -1.52 0.00 0.00 31.29 32.80 3ij6 h VAL 23 CO 0.07 0.37 -0.31 -0.70 0.02 0.00 0.00 177.57 177.02 3ij6 s GLU 24 N -3.88 0.38 0.00 1.57 2.12 -0.20 -5.04 118.70 113.65 3ij6 s GLU 24 Ca -0.16 1.10 0.10 0.00 0.36 0.00 0.00 54.97 56.37 3ij6 s GLU 24 Cb 0.01 0.40 0.36 0.00 0.26 0.00 0.00 34.13 35.17 3ij6 s GLU 24 CO 0.69 -0.23 1.27 -0.35 -0.54 0.00 0.00 175.26 176.10 3ij6 n PRO 25 N 5.29 1.55 -0.07 4.30 -0.04 -0.96 -3.54 135.00 141.53 3ij6 n PRO 25 Ca -0.11 -0.85 0.11 0.00 -0.04 0.00 0.00 63.50 62.62 3ij6 n PRO 25 Cb 0.50 -1.23 0.38 0.00 -0.04 0.00 0.00 33.50 33.12 3ij6 n PRO 25 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ij6 n ASN 26 N 0.16 1.80 -0.21 3.54 3.02 -1.26 -4.40 115.26 117.91 3ij6 n ASN 26 Ca 0.10 -1.70 -0.06 0.00 -0.03 0.00 0.00 54.58 52.89 3ij6 n ASN 26 Cb 0.21 -0.09 0.04 0.00 -0.61 0.00 0.00 39.78 39.33 3ij6 n ASN 26 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3ij6 h ILE 27 N 2.46 1.13 0.00 2.41 2.04 -1.93 -2.23 117.51 121.39 3ij6 h ILE 27 Ca 0.00 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3ij6 h ILE 27 Cb 0.54 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3ij6 h ILE 27 CO 0.00 0.14 -0.20 -0.65 0.00 0.00 0.00 178.15 177.44 3ij6 h PRO 28 N 0.78 0.00 -0.04 2.37 0.11 -1.82 -0.68 132.00 132.72 3ij6 h PRO 28 Ca 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 3ij6 h PRO 28 Cb -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 3ij6 h PRO 28 CO -0.06 0.20 -0.03 -0.91 -0.21 0.00 0.00 178.00 176.99 3ij6 h ASN 29 N 0.00 0.09 -0.37 -2.05 -0.26 -1.80 -3.34 115.58 107.84 3ij6 h ASN 29 Ca -0.00 -0.45 -0.13 0.00 -0.56 0.00 0.00 56.30 55.16 3ij6 h ASN 29 Cb 0.41 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3ij6 h ASN 29 CO 0.03 0.52 -0.28 0.24 -1.06 0.00 0.00 177.43 176.88 3ij6 h MET 30 N -0.34 0.84 -4.32 0.81 2.86 -1.25 -3.40 114.93 110.12 3ij6 h MET 30 Ca 0.01 -0.41 -0.73 0.00 -2.06 0.00 0.00 59.70 56.51 3ij6 h MET 30 Cb 0.49 -0.00 -0.26 0.00 0.06 0.00 0.00 31.60 31.88 3ij6 h MET 30 CO 0.01 1.05 -0.38 -0.06 1.06 0.00 0.00 176.91 178.59 3ij6 s PHE 31 N -4.49 3.32 -0.70 -0.22 0.08 -0.28 -4.96 117.98 110.74 3ij6 s PHE 31 Ca -0.12 -1.44 0.25 0.00 0.12 0.00 0.00 56.93 55.75 3ij6 s PHE 31 Cb 0.10 -3.27 0.89 0.00 -0.57 0.00 0.00 43.02 40.17 3ij6 s PHE 31 CO 0.85 -0.90 1.76 -0.35 -0.10 0.00 0.00 175.22 176.49 3ij6 n PRO 32 N 5.03 0.21 -0.04 0.24 -0.04 -1.26 -3.51 135.00 135.63 3ij6 n PRO 32 Ca -0.11 0.25 0.03 0.00 -0.04 0.00 0.00 63.50 63.64 3ij6 n PRO 32 Cb 0.42 -1.78 0.14 0.00 -0.04 0.00 0.00 33.50 32.23 3ij6 n PRO 32 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3ij6 n PHE 33 N -2.16 0.10 0.24 0.54 1.16 -1.26 -3.42 117.46 112.65 3ij6 n PHE 33 Ca 0.05 -0.05 0.09 0.00 -1.87 0.00 0.00 57.45 55.67 3ij6 n PHE 33 Cb 0.36 0.00 0.59 0.00 -1.61 0.00 0.00 39.48 38.82 3ij6 n PHE 33 CO 0.00 0.00 0.00 0.82 -1.87 0.00 0.00 176.76 175.71 3ij6 h ILE 34 N 0.50 0.80 -0.91 1.97 5.03 -1.89 -3.13 117.51 119.88 3ij6 h ILE 34 Ca 0.00 -0.76 0.27 0.00 -0.12 0.00 0.00 64.86 64.25 3ij6 h ILE 34 Cb 0.11 1.45 -0.17 0.00 -3.03 0.00 0.00 36.82 35.19 3ij6 h ILE 34 CO 0.00 0.19 0.08 1.17 -0.68 0.00 0.00 178.15 178.91 3ij6 n LYS 35 N -3.82 -0.07 -1.93 2.37 3.00 -1.22 -4.50 118.16 111.99 3ij6 n LYS 35 Ca -0.02 1.34 -0.43 0.00 -0.00 0.00 0.00 58.31 59.21 3ij6 n LYS 35 Cb 0.29 -2.17 -0.03 0.00 0.00 0.00 0.00 35.03 33.13 3ij6 n LYS 35 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3ij6 s ILE 36 N -5.82 3.45 -0.04 3.15 1.01 -1.19 -4.90 121.20 116.86 3ij6 s ILE 36 Ca -0.11 0.52 0.12 0.00 0.00 0.00 0.00 60.65 61.18 3ij6 s ILE 36 Cb 0.27 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3ij6 s ILE 36 CO 0.71 -0.13 1.41 0.07 0.00 0.00 0.00 174.94 176.99 3ij6 h LYS 37 N 10.87 0.00 0.00 2.79 2.10 -1.91 -3.12 116.57 127.30 3ij6 h LYS 37 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 3ij6 h LYS 37 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3ij6 h LYS 37 CO 0.97 0.67 0.00 -2.37 -2.00 0.00 0.00 179.45 176.72 3ij6 n THR 38 N -3.29 0.55 0.09 0.07 5.66 -1.26 -0.68 114.28 115.42 3ij6 n THR 38 Ca 0.01 0.10 -0.15 0.00 -3.05 0.00 0.00 64.05 60.96 3ij6 n THR 38 Cb 0.79 -0.78 -0.10 0.00 -1.55 0.00 0.00 70.33 68.70 3ij6 n THR 38 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 175.07 172.27 3ij6 h LEU 39 N 0.00 0.52 0.00 1.09 5.85 -1.88 -3.40 115.31 117.49 3ij6 h LEU 39 Ca 0.00 -0.48 -0.17 0.00 0.84 0.00 0.00 57.88 58.07 3ij6 h LEU 39 Cb 0.40 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3ij6 h LEU 39 CO 0.00 1.32 -1.75 0.80 -0.34 0.00 0.00 178.44 178.48 3ij6 n MET 40 N -3.65 1.72 -3.76 1.25 1.56 -1.08 -0.55 117.12 112.60 3ij6 n MET 40 Ca -0.08 -0.03 -0.37 0.00 -0.27 0.00 0.00 57.70 56.94 3ij6 n MET 40 Cb 0.94 -1.30 -0.12 0.00 2.15 0.00 0.00 33.22 34.89 3ij6 n MET 40 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3ij6 s ASP 41 N -4.21 5.27 0.22 6.12 -1.08 0.15 -4.50 116.67 118.64 3ij6 s ASP 41 Ca -0.05 -1.40 -0.07 0.00 -0.52 0.00 0.00 52.55 50.50 3ij6 s ASP 41 Cb 0.04 -1.85 0.19 0.00 -1.46 0.00 0.00 42.92 39.84 3ij6 s ASP 41 CO 0.49 -0.39 1.81 0.25 0.52 0.00 0.00 175.17 177.85 3ij6 h LEU 42 N 8.17 1.12 -0.86 -1.34 5.85 -1.86 -1.59 115.31 124.81 3ij6 h LEU 42 Ca -0.21 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 3ij6 h LEU 42 Cb 1.07 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 3ij6 h LEU 42 CO 0.63 0.95 0.47 -2.24 -0.34 0.00 0.00 178.44 177.91 3ij6 h ASP 43 N 1.21 1.07 -0.61 1.25 -0.00 -1.94 -0.99 116.42 116.40 3ij6 h ASP 43 Ca 0.29 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.03 57.19 3ij6 h ASP 43 Cb 0.14 -0.27 -0.03 0.00 -0.00 0.00 0.00 39.33 39.17 3ij6 h ASP 43 CO -0.03 0.86 0.26 -0.08 -0.00 0.00 0.00 179.24 180.24 3ij6 h GLU 44 N 1.19 0.91 -0.67 4.15 4.57 -1.77 -1.19 114.58 121.77 3ij6 h GLU 44 Ca 0.30 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3ij6 h GLU 44 Cb 0.03 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 3ij6 h GLU 44 CO -0.05 0.76 0.42 -0.09 -1.18 0.00 0.00 179.01 178.87 3ij6 h ARG 45 N 0.85 0.80 0.04 1.92 2.43 -0.72 0.02 114.38 119.73 3ij6 h ARG 45 Ca 0.21 -0.05 -0.23 0.00 -0.81 0.00 0.00 59.98 59.10 3ij6 h ARG 45 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3ij6 h ARG 45 CO -0.02 0.53 -1.05 -0.07 -1.51 0.00 0.00 179.97 177.85 3ij6 h LEU 46 N 0.82 0.19 -0.19 3.80 3.38 -1.08 -2.26 115.31 119.97 3ij6 h LEU 46 Ca 0.27 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3ij6 h LEU 46 Cb 0.02 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3ij6 h LEU 46 CO -0.11 1.11 -0.14 0.74 0.09 0.00 0.00 178.44 180.13 3ij6 h THR 47 N 0.04 1.32 -0.40 0.22 2.02 -1.10 -3.20 112.91 111.83 3ij6 h THR 47 Ca -0.06 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 65.82 3ij6 h THR 47 Cb 1.77 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.89 3ij6 h THR 47 CO 0.15 0.38 0.06 0.29 0.37 0.00 0.00 175.52 176.77 3ij6 n LYS 48 N -4.53 3.18 -1.68 6.66 5.02 -0.02 -4.98 118.16 121.82 3ij6 n LYS 48 Ca -0.05 -1.94 -0.52 0.00 -2.02 0.00 0.00 58.31 53.77 3ij6 n LYS 48 Cb 0.36 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.37 3ij6 n LYS 48 CO 0.00 0.00 0.00 1.87 -0.52 0.00 0.00 177.40 178.75 3ij6 n TRP 49 N 0.25 2.07 -0.04 2.13 -0.00 -0.85 -4.69 117.44 116.31 3ij6 n TRP 49 Ca 0.20 0.36 -0.03 0.00 -0.00 0.00 0.00 57.50 58.03 3ij6 n TRP 49 Cb 0.90 -2.51 0.22 0.00 -0.00 0.00 0.00 31.31 29.92 3ij6 n TRP 49 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3ij6 h PRO 50 N 7.21 0.62 -2.31 5.87 0.13 -1.88 -3.44 132.00 138.20 3ij6 h PRO 50 Ca -0.47 -0.17 -0.06 0.00 -0.87 0.00 0.00 66.00 64.43 3ij6 h PRO 50 Cb 1.30 -0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.13 3ij6 h PRO 50 CO 0.92 0.68 -0.06 0.34 -0.23 0.00 0.00 178.00 179.65 3ij6 s ASP 51 N -6.72 -0.67 0.12 1.44 -1.08 -1.26 -4.94 116.67 103.57 3ij6 s ASP 51 Ca -0.08 1.21 0.27 0.00 -0.52 0.00 0.00 52.55 53.42 3ij6 s ASP 51 Cb 0.15 1.17 0.90 0.00 -1.46 0.00 0.00 42.92 43.67 3ij6 s ASP 51 CO 0.79 -0.21 1.77 1.67 0.52 0.00 0.00 175.17 179.71 3ij6 n GLN 52 N 3.37 0.17 -0.01 4.34 -0.06 -1.26 -2.18 117.38 121.74 3ij6 n GLN 52 Ca -0.17 0.12 0.13 0.00 -2.00 0.00 0.00 57.00 55.09 3ij6 n GLN 52 Cb 0.56 -1.68 0.48 0.00 -4.06 0.00 0.00 30.24 25.55 3ij6 n GLN 52 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3ij6 n ASN 53 N -1.97 1.60 -4.64 1.69 4.13 -1.26 -4.88 115.26 109.94 3ij6 n ASN 53 Ca 0.06 -1.55 -0.38 0.00 1.68 0.00 0.00 54.58 54.39 3ij6 n ASN 53 Cb 0.40 -0.02 -0.09 0.00 -1.54 0.00 0.00 39.78 38.53 3ij6 n ASN 53 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3ij6 s THR 54 N -1.97 5.26 -0.10 3.41 2.01 -0.93 0.81 115.64 124.15 3ij6 s THR 54 Ca 0.37 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 3ij6 s THR 54 Cb 0.21 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3ij6 s THR 54 CO 0.32 0.26 -0.06 -0.54 -0.69 0.00 0.00 174.62 173.92 3ij6 s LYS 55 N 1.45 3.04 -0.11 4.92 1.02 0.23 -4.87 119.74 125.42 3ij6 s LYS 55 Ca 0.13 -0.54 -0.05 0.00 0.02 0.00 0.00 55.97 55.52 3ij6 s LYS 55 Cb -0.15 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.43 3ij6 s LYS 55 CO 0.08 0.53 0.10 -0.65 -0.92 0.00 0.00 175.35 174.48 3ij6 s GLN 56 N -0.45 3.30 -0.41 1.68 -0.21 -0.07 -0.79 119.66 122.72 3ij6 s GLN 56 Ca 0.07 -0.22 -0.16 0.00 0.02 0.00 0.00 55.36 55.07 3ij6 s GLN 56 Cb -0.12 -3.07 0.02 0.00 1.00 0.00 0.00 33.01 30.84 3ij6 s GLN 56 CO 0.02 0.75 0.38 0.08 -2.12 0.00 0.00 175.29 174.41 3ij6 s VAL 57 N -0.98 5.16 -0.11 1.09 1.01 0.42 -1.57 120.40 125.41 3ij6 s VAL 57 Ca 0.14 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 3ij6 s VAL 57 Cb -0.12 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 3ij6 s VAL 57 CO 0.03 -0.35 0.39 0.27 0.00 0.00 0.00 175.10 175.44 3ij6 s ILE 58 N 1.96 5.20 0.35 2.22 -4.36 -0.79 -2.15 121.20 123.63 3ij6 s ILE 58 Ca 0.09 0.77 0.07 0.00 -0.26 0.00 0.00 60.65 61.32 3ij6 s ILE 58 Cb -0.18 -3.72 -0.07 0.00 1.25 0.00 0.00 42.46 39.75 3ij6 s ILE 58 CO 0.12 0.41 -0.03 -0.94 0.24 0.00 0.00 174.94 174.74 3ij6 s SER 59 N 0.15 3.37 0.37 4.36 1.04 0.23 -0.35 113.70 122.87 3ij6 s SER 59 Ca 0.22 -1.28 -0.25 0.00 0.48 0.00 0.00 55.95 55.13 3ij6 s SER 59 Cb -0.15 -0.29 -0.10 0.00 0.10 0.00 0.00 66.02 65.59 3ij6 s SER 59 CO 0.09 -0.37 1.00 -0.76 0.98 0.00 0.00 173.24 174.18 3ij6 s LEU 60 N -3.59 4.20 0.76 2.42 1.43 -1.26 -0.29 118.68 122.36 3ij6 s LEU 60 Ca 0.33 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.26 3ij6 s LEU 60 Cb 0.06 -4.14 0.05 0.00 0.03 0.00 0.00 46.19 42.19 3ij6 s LEU 60 CO 0.16 -0.31 1.08 0.00 0.23 0.00 0.00 176.35 177.51 3ij6 s ALA 61 N -1.68 2.33 -0.84 4.21 0.00 -1.20 -4.82 121.76 119.76 3ij6 s ALA 61 Ca 0.55 0.15 -0.23 0.00 0.00 0.00 0.00 51.96 52.43 3ij6 s ALA 61 Cb -0.20 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3ij6 s ALA 61 CO 0.25 -1.65 1.90 0.27 0.00 0.00 0.00 175.76 176.53 3ij6 n ASN 62 N -3.43 2.50 -3.74 0.00 0.23 -1.26 -4.69 115.26 104.87 3ij6 n ASN 62 Ca 0.08 -2.66 -0.30 0.00 -0.53 0.00 0.00 54.58 51.17 3ij6 n ASN 62 Cb 0.54 -1.28 -0.15 0.00 -2.08 0.00 0.00 39.78 36.81 3ij6 n ASN 62 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3ij6 s ILE 63 N 7.71 0.98 -0.05 1.53 1.01 -1.26 -5.12 121.20 126.00 3ij6 s ILE 63 Ca 0.63 -1.55 0.05 0.00 0.00 0.00 0.00 60.65 59.79 3ij6 s ILE 63 Cb 0.09 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 3ij6 s ILE 63 CO 0.15 -0.69 -0.22 -0.44 0.00 0.00 0.00 174.94 173.73 3ij6 s SER 64 N 1.47 2.77 0.00 3.58 0.01 -1.26 -5.02 113.70 115.26 3ij6 s SER 64 Ca 0.11 -0.46 0.08 0.00 1.31 0.00 0.00 55.95 56.99 3ij6 s SER 64 Cb -0.18 -0.78 0.41 0.00 0.21 0.00 0.00 66.02 65.68 3ij6 s SER 64 CO -0.22 0.21 1.15 -2.65 0.41 0.00 0.00 173.24 172.14 3ij6 n PRO 65 N 3.03 0.11 0.18 12.44 -0.02 -1.26 -1.37 135.00 148.10 3ij6 n PRO 65 Ca -0.18 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.60 3ij6 n PRO 65 Cb 0.52 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.67 3ij6 n PRO 65 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3ij6 h GLU 66 N 0.00 0.00 -0.20 -0.52 4.11 -1.91 -1.67 114.58 114.40 3ij6 h GLU 66 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3ij6 h GLU 66 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3ij6 h GLU 66 CO 0.00 0.30 0.00 -0.25 0.07 0.00 0.00 179.01 179.13 3ij6 n ASP 67 N -3.22 2.08 0.00 3.06 8.00 -0.47 -4.42 116.55 121.57 3ij6 n ASP 67 Ca 0.02 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.75 3ij6 n ASP 67 Cb 0.61 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 3ij6 n ASP 67 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ij6 n PHE 68 N 0.60 0.00 -4.25 1.24 3.72 -1.21 -5.06 117.46 112.49 3ij6 n PHE 68 Ca 0.17 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.40 3ij6 n PHE 68 Cb 0.40 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.85 3ij6 n PHE 68 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3ij6 s THR 69 N -0.76 0.00 0.91 4.37 -4.23 -0.63 -5.01 115.64 110.28 3ij6 s THR 69 Ca 0.00 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.39 3ij6 s THR 69 Cb 0.00 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.48 3ij6 s THR 69 CO 0.00 0.00 1.17 1.51 -0.54 0.00 0.00 174.62 176.76 3ij6 s ASP 70 N -3.29 3.57 0.53 3.99 1.47 -1.26 -4.62 116.67 117.06 3ij6 s ASP 70 Ca 0.40 0.82 0.26 0.00 1.18 0.00 0.00 52.55 55.21 3ij6 s ASP 70 Cb 0.04 -1.29 1.50 0.00 -0.34 0.00 0.00 42.92 42.83 3ij6 s ASP 70 CO 0.22 -2.50 2.11 0.77 0.68 0.00 0.00 175.17 176.46 3ij6 h SER 71 N -1.46 0.00 0.13 2.11 4.64 -1.94 -1.48 113.55 115.54 3ij6 h SER 71 Ca -0.48 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.54 3ij6 h SER 71 Cb 1.32 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 3ij6 h SER 71 CO 0.59 0.09 -1.53 0.50 -0.87 0.00 0.00 176.83 175.61 3ij6 h LYS 72 N 0.00 0.27 -0.44 4.77 3.64 -1.94 -3.07 116.57 119.80 3ij6 h LYS 72 Ca -0.00 -0.46 -0.03 0.00 -1.27 0.00 0.00 60.65 58.89 3ij6 h LYS 72 Cb 0.24 0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3ij6 h LYS 72 CO 0.01 1.22 0.14 1.15 -2.27 0.00 0.00 179.45 179.71 3ij6 h THR 73 N -0.21 1.22 -0.97 1.00 2.02 -1.91 -2.82 112.91 111.24 3ij6 h THR 73 Ca -0.32 -0.72 0.02 0.00 0.77 0.00 0.00 66.41 66.16 3ij6 h THR 73 Cb 1.84 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 69.05 3ij6 h THR 73 CO 0.08 0.26 0.64 -1.28 0.37 0.00 0.00 175.52 175.58 3ij6 h SER 74 N 0.57 1.09 -0.82 4.18 0.87 -1.43 -0.11 113.55 117.91 3ij6 h SER 74 Ca 0.14 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3ij6 h SER 74 Cb 0.25 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 3ij6 h SER 74 CO -0.01 0.78 0.35 0.00 -0.53 0.00 0.00 176.83 177.43 3ij6 h ALA 75 N 1.41 1.08 -0.01 6.23 0.00 -1.42 0.14 119.26 126.68 3ij6 h ALA 75 Ca 0.36 -0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 3ij6 h ALA 75 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3ij6 h ALA 75 CO -0.09 0.67 -0.80 0.93 0.00 0.00 0.00 179.25 179.96 3ij6 h GLU 76 N 1.18 0.18 -0.00 0.00 5.08 -1.22 -1.52 114.58 118.27 3ij6 h GLU 76 Ca 0.28 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.30 3ij6 h GLU 76 Cb 0.18 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3ij6 h GLU 76 CO -0.03 0.88 -0.78 -0.07 -1.00 0.00 0.00 179.01 178.02 3ij6 h LEU 77 N 0.11 0.05 -0.06 1.33 3.38 -0.70 -2.32 115.31 117.10 3ij6 h LEU 77 Ca -0.03 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 3ij6 h LEU 77 Cb 1.39 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.14 3ij6 h LEU 77 CO 0.12 0.81 -0.68 0.00 0.09 0.00 0.00 178.44 178.78 3ij6 h GLN 79 N 0.18 0.56 0.00 0.00 4.15 -1.31 -1.22 115.11 117.47 3ij6 h GLN 79 Ca -0.07 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 3ij6 h GLN 79 Cb 1.34 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 3ij6 h GLN 79 CO 0.14 0.37 -0.51 1.03 -1.93 0.00 0.00 178.83 177.92 3ij6 h SER 80 N 0.57 0.00 -0.30 -0.69 0.87 -1.48 -1.80 113.55 110.72 3ij6 h SER 80 Ca 0.22 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.63 3ij6 h SER 80 Cb 0.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3ij6 h SER 80 CO -0.13 0.51 -0.42 0.00 -0.53 0.00 0.00 176.83 176.27 3ij6 h ALA 81 N 1.49 0.46 -0.23 6.23 0.00 -1.05 -2.59 119.26 123.57 3ij6 h ALA 81 Ca -0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3ij6 h ALA 81 Cb 0.94 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ij6 h ALA 81 CO 0.07 0.58 -0.34 -0.91 0.00 0.00 0.00 179.25 178.65 3ij6 h ASN 82 N 0.59 0.50 -0.28 0.00 2.35 -1.10 -0.34 115.58 117.30 3ij6 h ASN 82 Ca 0.03 -0.20 0.03 0.00 -0.55 0.00 0.00 56.30 55.62 3ij6 h ASN 82 Cb 1.01 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3ij6 h ASN 82 CO 0.10 0.81 0.08 -0.08 -1.65 0.00 0.00 177.43 176.69 3ij6 h GLU 83 N 0.41 0.19 -0.59 0.81 4.81 -1.34 0.51 114.58 119.38 3ij6 h GLU 83 Ca 0.05 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 3ij6 h GLU 83 Cb 0.79 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3ij6 h GLU 83 CO 0.06 0.13 0.15 1.49 -0.73 0.00 0.00 179.01 180.11 3ij6 h GLU 84 N 0.20 0.94 -0.11 1.92 4.81 -1.10 -1.08 114.58 120.16 3ij6 h GLU 84 Ca 0.13 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3ij6 h GLU 84 Cb 0.11 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3ij6 h GLU 84 CO -0.14 0.86 0.05 -0.07 -0.73 0.00 0.00 179.01 178.98 3ij6 h LEU 85 N 0.85 0.14 -0.85 1.64 3.38 -0.86 -1.29 115.31 118.33 3ij6 h LEU 85 Ca 0.19 -0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.12 3ij6 h LEU 85 Cb 0.34 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3ij6 h LEU 85 CO 0.00 0.23 0.50 -1.28 0.09 0.00 0.00 178.44 177.98 3ij6 h SER 86 N 0.05 0.73 -0.57 -0.43 0.87 -0.83 -2.75 113.55 110.62 3ij6 h SER 86 Ca 0.04 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3ij6 h SER 86 Cb 0.13 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 3ij6 h SER 86 CO -0.00 0.42 0.25 -1.13 -0.53 0.00 0.00 176.83 175.83 3ij6 h ASN 87 N 0.84 0.77 -0.30 6.23 -1.24 -0.80 -1.02 115.58 120.06 3ij6 h ASN 87 Ca 0.40 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.25 3ij6 h ASN 87 Cb 0.34 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 3ij6 h ASN 87 CO -0.24 0.71 0.17 -0.07 -1.29 0.00 0.00 177.43 176.72 3ij6 h LEU 88 N 0.78 0.40 -0.07 0.34 4.07 -0.97 0.17 115.31 120.02 3ij6 h LEU 88 Ca 0.19 -0.02 -0.14 0.00 0.08 0.00 0.00 57.88 57.99 3ij6 h LEU 88 Cb 0.17 -0.10 0.01 0.00 1.08 0.00 0.00 40.66 41.82 3ij6 h LEU 88 CO -0.02 0.34 -0.50 0.58 -1.08 0.00 0.00 178.44 177.76 3ij6 h VAL 89 N 0.46 1.39 -0.63 1.22 2.07 -1.26 -0.98 116.25 118.52 3ij6 h VAL 89 Ca 0.12 -1.87 0.03 0.00 0.82 0.00 0.00 66.70 65.80 3ij6 h VAL 89 Cb 0.04 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3ij6 h VAL 89 CO -0.02 0.55 0.38 -0.78 0.02 0.00 0.00 177.57 177.72 3ij6 h ASP 90 N 0.03 0.61 1.50 0.57 3.58 -0.73 -3.00 116.42 118.97 3ij6 h ASP 90 Ca -0.04 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.34 3ij6 h ASP 90 Cb 1.16 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.08 3ij6 h ASP 90 CO 0.10 0.42 -0.51 1.56 -2.88 0.00 0.00 179.24 177.93 3ij6 h GLN 91 N 0.73 0.00 -2.12 0.28 1.08 -0.71 -3.38 115.11 111.00 3ij6 h GLN 91 Ca 0.26 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.90 3ij6 h GLN 91 Cb 0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.07 3ij6 h GLN 91 CO -0.12 0.33 -0.88 0.72 -0.95 0.00 0.00 178.83 177.93 3ij6 n HIS 92 N -3.12 1.91 1.50 2.96 8.25 -0.37 -4.94 115.22 121.39 3ij6 n HIS 92 Ca 0.01 -3.89 0.15 0.00 -0.26 0.00 0.00 57.72 53.73 3ij6 n HIS 92 Cb 0.68 -0.46 0.76 0.00 1.12 0.00 0.00 29.99 32.10 3ij6 n HIS 92 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3ij6 n PRO 93 N 0.58 0.54 0.04 -0.41 -0.04 -1.14 -1.20 135.00 133.37 3ij6 n PRO 93 Ca 0.27 -0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 3ij6 n PRO 93 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 3ij6 n PRO 93 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ij6 n GLY 94 N 1.25 -1.37 0.20 0.55 0.00 -1.26 -4.42 105.19 100.14 3ij6 n GLY 94 Ca 0.15 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 3ij6 n GLY 94 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ij6 n LYS 95 N -1.96 0.27 -3.75 1.61 4.76 -0.89 -4.81 118.16 113.40 3ij6 n LYS 95 Ca 0.04 0.08 -0.37 0.00 -2.87 0.00 0.00 58.31 55.19 3ij6 n LYS 95 Cb 0.42 -1.15 -0.12 0.00 -1.84 0.00 0.00 35.03 32.33 3ij6 n LYS 95 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3ij6 s PHE 96 N -2.22 3.09 -0.81 2.13 0.08 -0.34 -0.89 117.98 119.03 3ij6 s PHE 96 Ca -0.16 -0.46 0.27 0.00 0.12 0.00 0.00 56.93 56.70 3ij6 s PHE 96 Cb 0.05 -2.25 0.90 0.00 -0.57 0.00 0.00 43.02 41.14 3ij6 s PHE 96 CO 0.25 -0.38 1.79 0.00 -0.10 0.00 0.00 175.22 176.78 3ij6 n ALA 97 N 4.93 2.36 0.00 5.36 0.00 -0.61 -4.54 120.51 128.01 3ij6 n ALA 97 Ca -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3ij6 n ALA 97 Cb 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3ij6 n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ij6 n GLY 98 N 1.37 -0.25 3.18 0.00 0.00 -1.25 -5.00 105.19 103.24 3ij6 n GLY 98 Ca 0.06 -1.16 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 3ij6 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 s ALA 99 N -2.00 1.24 -0.16 4.61 0.00 -0.21 -1.89 121.76 123.34 3ij6 s ALA 99 Ca 0.00 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 50.86 3ij6 s ALA 99 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 3ij6 s ALA 99 CO 0.00 0.16 0.00 0.08 0.00 0.00 0.00 175.76 176.01 3ij6 s VAL 100 N -1.41 4.27 0.25 0.00 1.01 0.53 -0.64 120.40 124.40 3ij6 s VAL 100 Ca -0.00 -0.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.63 3ij6 s VAL 100 Cb -0.09 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.32 3ij6 s VAL 100 CO 0.02 0.49 0.62 0.00 0.00 0.00 0.00 175.10 176.23 3ij6 s ALA 101 N 0.31 3.48 0.14 5.51 0.00 0.43 -4.40 121.76 127.23 3ij6 s ALA 101 Ca -0.01 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.54 3ij6 s ALA 101 Cb -0.13 -2.59 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3ij6 s ALA 101 CO 0.02 0.43 0.95 -1.50 0.00 0.00 0.00 175.76 175.66 3ij6 s ILE 102 N -1.79 4.40 -0.14 0.00 2.07 -1.26 -0.30 121.20 124.18 3ij6 s ILE 102 Ca 0.48 2.07 -0.08 0.00 -1.41 0.00 0.00 60.65 61.71 3ij6 s ILE 102 Cb -0.12 -4.32 -0.04 0.00 0.13 0.00 0.00 42.46 38.11 3ij6 s ILE 102 CO 0.20 0.36 0.13 -0.76 -1.91 0.00 0.00 174.94 172.96 3ij6 s LEU 103 N -0.29 4.30 -0.81 8.50 1.43 -1.26 -4.86 118.68 125.68 3ij6 s LEU 103 Ca 0.45 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 3ij6 s LEU 103 Cb -0.24 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.02 3ij6 s LEU 103 CO 0.30 0.34 1.06 -2.16 0.23 0.00 0.00 176.35 176.12 3ij6 s PRO 104 N -0.60 3.38 0.00 1.29 0.04 -1.26 -4.91 135.00 132.95 3ij6 s PRO 104 Ca 0.13 -1.34 0.30 0.00 0.04 0.00 0.00 61.00 60.12 3ij6 s PRO 104 Cb -0.12 -4.64 1.47 0.00 0.04 0.00 0.00 34.50 31.25 3ij6 s PRO 104 CO 0.02 -1.80 1.99 -1.33 0.04 0.00 0.00 177.00 175.91 3ij6 n MET 105 N 7.12 1.16 0.00 4.56 2.81 -1.26 -1.63 117.12 129.88 3ij6 n MET 105 Ca 0.12 -0.38 0.14 0.00 -1.81 0.00 0.00 57.70 55.77 3ij6 n MET 105 Cb 0.47 -1.49 0.67 0.00 -0.71 0.00 0.00 33.22 32.16 3ij6 n MET 105 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3ij6 n ASN 106 N -0.58 0.08 -3.63 7.83 0.23 -1.26 -4.61 115.26 113.31 3ij6 n ASN 106 Ca 0.20 0.04 -0.29 0.00 -0.53 0.00 0.00 54.58 54.00 3ij6 n ASN 106 Cb 0.23 -0.31 -0.13 0.00 -2.08 0.00 0.00 39.78 37.49 3ij6 n ASN 106 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ij6 s ASN 107 N -2.74 3.45 0.17 0.53 3.84 -0.64 -4.77 114.94 114.77 3ij6 s ASN 107 Ca 0.22 -2.39 -0.11 0.00 0.21 0.00 0.00 52.86 50.79 3ij6 s ASN 107 Cb 0.20 -0.80 0.08 0.00 -0.55 0.00 0.00 41.25 40.17 3ij6 s ASN 107 CO 0.50 -0.29 1.72 0.40 -2.79 0.00 0.00 177.10 176.63 3ij6 h ILE 108 N 5.28 1.24 -0.35 -5.21 1.08 -1.82 0.16 117.51 117.90 3ij6 h ILE 108 Ca 0.00 -0.79 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 3ij6 h ILE 108 Cb 0.95 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3ij6 h ILE 108 CO 0.41 0.30 0.08 -0.08 -0.69 0.00 0.00 178.15 178.17 3ij6 h GLU 109 N 0.86 0.55 -0.19 2.37 4.81 -1.95 -1.48 114.58 119.55 3ij6 h GLU 109 Ca 0.20 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 3ij6 h GLU 109 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3ij6 h GLU 109 CO -0.01 0.61 -0.25 1.03 -0.73 0.00 0.00 179.01 179.65 3ij6 h SER 110 N 0.40 0.35 -0.35 1.04 0.87 -1.86 -2.31 113.55 111.70 3ij6 h SER 110 Ca 0.11 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 3ij6 h SER 110 Cb 0.30 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3ij6 h SER 110 CO 0.00 0.61 -0.08 0.00 -0.53 0.00 0.00 176.83 176.83 3ij6 h ALA 111 N 1.42 1.03 -0.40 6.23 0.00 -0.46 -1.63 119.26 125.45 3ij6 h ALA 111 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3ij6 h ALA 111 Cb 0.62 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3ij6 h ALA 111 CO 0.04 0.59 0.05 0.00 0.00 0.00 0.00 179.25 179.94 3ij6 h LYS 113 N 0.59 0.85 -0.36 0.00 1.79 -0.84 -0.74 116.57 117.86 3ij6 h LYS 113 Ca 0.13 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3ij6 h LYS 113 Cb 0.30 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.83 3ij6 h LYS 113 CO 0.00 0.84 0.23 0.28 -1.08 0.00 0.00 179.45 179.73 3ij6 h VAL 114 N 0.73 1.10 -0.91 0.50 2.07 -1.14 0.25 116.25 118.86 3ij6 h VAL 114 Ca 0.16 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3ij6 h VAL 114 Cb 0.40 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3ij6 h VAL 114 CO 0.01 0.10 0.60 0.40 0.02 0.00 0.00 177.57 178.69 3ij6 h ILE 115 N 0.48 1.16 -0.61 4.57 1.08 -1.18 -2.42 117.51 120.58 3ij6 h ILE 115 Ca 0.13 -0.39 -0.09 0.00 -0.39 0.00 0.00 64.86 64.12 3ij6 h ILE 115 Cb -0.04 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.60 3ij6 h ILE 115 CO -0.03 0.21 0.05 0.28 -0.69 0.00 0.00 178.15 177.97 3ij6 h SER 116 N 1.14 1.01 0.16 1.72 0.02 -0.62 -3.19 113.55 113.80 3ij6 h SER 116 Ca 0.36 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3ij6 h SER 116 Cb 0.01 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.28 3ij6 h SER 116 CO -0.11 1.05 0.00 -1.54 -1.14 0.00 0.00 176.83 175.09 3ij6 n SER 117 N -4.23 0.00 0.02 3.07 3.41 0.03 -3.52 113.62 112.39 3ij6 n SER 117 Ca 0.03 -0.56 -0.17 0.00 -0.26 0.00 0.00 58.87 57.92 3ij6 n SER 117 Cb 0.32 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 3ij6 n SER 117 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3ij6 h ILE 118 N 0.00 1.30 0.00 -1.33 1.08 -1.52 -2.74 117.51 114.31 3ij6 h ILE 118 Ca 0.00 -2.13 0.00 0.00 -0.39 0.00 0.00 64.86 62.34 3ij6 h ILE 118 Cb 0.08 2.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.99 3ij6 h ILE 118 CO 0.00 0.66 0.00 0.11 -0.69 0.00 0.00 178.15 178.23 3ij6 h LYS 119 N 0.43 0.00 0.00 2.37 1.79 -1.78 -3.01 116.57 116.37 3ij6 h LYS 119 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3ij6 h LYS 119 Cb 1.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.15 3ij6 h LYS 119 CO 0.17 0.00 -0.67 -0.25 -1.08 0.00 0.00 179.45 177.61 3ij6 n ASP 120 N -2.87 0.66 -4.14 0.86 8.00 -1.20 -4.69 116.55 113.16 3ij6 n ASP 120 Ca 0.03 0.03 -0.35 0.00 0.71 0.00 0.00 54.79 55.21 3ij6 n ASP 120 Cb 0.42 0.27 -0.13 0.00 -0.02 0.00 0.00 41.12 41.66 3ij6 n ASP 120 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3ij6 s ASP 121 N -4.03 5.07 0.64 -2.24 3.68 -1.04 -4.97 116.67 113.77 3ij6 s ASP 121 Ca 0.06 -1.71 0.41 0.00 2.13 0.00 0.00 52.55 53.44 3ij6 s ASP 121 Cb 0.14 -1.76 2.16 0.00 -1.45 0.00 0.00 42.92 42.00 3ij6 s ASP 121 CO 0.73 -0.41 2.28 -0.08 0.13 0.00 0.00 175.17 177.82 3ij6 h GLU 122 N 7.99 0.00 0.00 4.34 4.22 -1.84 -1.70 114.58 127.60 3ij6 h GLU 122 Ca -0.16 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.27 3ij6 h GLU 122 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3ij6 h GLU 122 CO 0.61 0.00 -0.68 -0.91 -2.18 0.00 0.00 179.01 175.85 3ij6 h ASN 123 N 0.00 0.00 -3.49 1.04 2.35 -1.91 -3.44 115.58 110.13 3ij6 h ASN 123 Ca -0.00 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.15 3ij6 h ASN 123 Cb 0.13 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.38 3ij6 h ASN 123 CO 0.00 0.06 -0.23 -0.76 -1.65 0.00 0.00 177.43 174.85 3ij6 s LEU 124 N -5.71 4.15 -0.00 1.61 1.43 -0.64 -1.05 118.68 118.47 3ij6 s LEU 124 Ca 0.02 0.47 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 3ij6 s LEU 124 Cb 0.08 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 3ij6 s LEU 124 CO 0.75 -0.06 0.12 0.55 0.23 0.00 0.00 176.35 177.93 3ij6 n VAL 125 N 4.35 0.00 -3.61 -1.59 3.14 0.18 -4.76 118.33 116.04 3ij6 n VAL 125 Ca -0.09 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 3ij6 n VAL 125 Cb 0.51 0.79 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 3ij6 n VAL 125 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ij6 n GLY 126 N 1.52 0.96 2.97 7.55 0.00 -1.24 -4.54 105.19 112.42 3ij6 n GLY 126 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.05 3ij6 n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 s ALA 127 N -1.00 0.21 -0.26 4.61 0.00 -1.19 -0.43 121.76 123.70 3ij6 s ALA 127 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3ij6 s ALA 127 Cb 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 3ij6 s ALA 127 CO 0.00 -0.06 0.21 -1.14 0.00 0.00 0.00 175.76 174.77 3ij6 s GLN 128 N -0.98 4.00 -0.01 0.00 0.74 0.60 -1.39 119.66 122.62 3ij6 s GLN 128 Ca -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 55.36 55.06 3ij6 s GLN 128 Cb -0.07 -3.62 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 3ij6 s GLN 128 CO -0.00 -0.12 0.14 0.96 -0.55 0.00 0.00 175.29 175.72 3ij6 s ILE 129 N 1.58 5.12 0.35 -2.34 -4.36 0.10 -4.24 121.20 117.41 3ij6 s ILE 129 Ca 0.09 -0.27 0.07 0.00 -0.26 0.00 0.00 60.65 60.28 3ij6 s ILE 129 Cb -0.15 -3.37 -0.02 0.00 1.25 0.00 0.00 42.46 40.17 3ij6 s ILE 129 CO 0.09 0.34 0.38 -0.36 0.24 0.00 0.00 174.94 175.63 3ij6 s PHE 130 N -1.26 2.96 0.29 1.37 0.08 -1.26 -1.04 117.98 119.11 3ij6 s PHE 130 Ca 0.25 -0.30 0.05 0.00 0.12 0.00 0.00 56.93 57.05 3ij6 s PHE 130 Cb -0.12 -1.94 0.45 0.00 -0.57 0.00 0.00 43.02 40.83 3ij6 s PHE 130 CO 0.16 0.05 1.72 1.79 -0.10 0.00 0.00 175.22 178.84 3ij6 h THR 131 N 1.06 1.28 -4.02 0.64 1.35 -1.71 -3.42 112.91 108.10 3ij6 h THR 131 Ca -0.44 -1.37 -0.40 0.00 -0.55 0.00 0.00 66.41 63.64 3ij6 h THR 131 Cb 1.26 1.51 -0.25 0.00 -1.73 0.00 0.00 68.15 68.94 3ij6 h THR 131 CO 0.55 0.42 -0.78 -0.13 -0.25 0.00 0.00 175.52 175.34 3ij6 s ARG 132 N -4.33 0.80 -0.06 4.72 0.52 -1.26 -2.29 118.95 117.05 3ij6 s ARG 132 Ca -0.06 -0.66 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 3ij6 s ARG 132 Cb 0.14 -0.77 0.02 0.00 0.52 0.00 0.00 34.95 34.86 3ij6 s ARG 132 CO 0.78 0.19 -0.09 -1.01 0.02 0.00 0.00 175.30 175.19 3ij6 s HIS 133 N -0.81 1.20 -1.52 -0.53 3.76 0.43 -4.87 115.29 112.95 3ij6 s HIS 133 Ca -0.00 -0.44 -0.12 0.00 -0.15 0.00 0.00 55.06 54.35 3ij6 s HIS 133 Cb -0.07 -0.94 0.08 0.00 1.11 0.00 0.00 32.58 32.75 3ij6 s HIS 133 CO 0.01 -0.28 0.90 1.28 -0.85 0.00 0.00 174.74 175.81 3ij6 n LEU 134 N 4.05 -2.49 -0.45 0.89 4.77 -1.26 -1.03 117.00 121.49 3ij6 n LEU 134 Ca -0.22 -0.82 -0.06 0.00 -0.03 0.00 0.00 56.01 54.88 3ij6 n LEU 134 Cb 0.51 -2.49 -0.03 0.00 -2.33 0.00 0.00 43.42 39.08 3ij6 n LEU 134 CO 0.23 0.44 -0.06 0.61 -1.33 0.00 0.00 177.39 177.29 3ij6 n GLY 135 N -1.66 0.78 3.32 -0.72 0.00 -1.26 -5.01 105.19 100.64 3ij6 n GLY 135 Ca -0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 3ij6 n GLY 135 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ij6 s LYS 136 N -2.06 1.22 0.56 1.61 1.02 -0.19 -5.13 119.74 116.75 3ij6 s LYS 136 Ca 0.00 -1.28 -0.20 0.00 0.02 0.00 0.00 55.97 54.51 3ij6 s LYS 136 Cb 0.00 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.83 3ij6 s LYS 136 CO 0.00 0.32 1.18 0.45 -0.92 0.00 0.00 175.35 176.38 3ij6 s SER 137 N -2.22 5.51 0.64 2.83 0.15 -1.26 -0.43 113.70 118.92 3ij6 s SER 137 Ca 0.11 2.33 0.38 0.00 0.70 0.00 0.00 55.95 59.47 3ij6 s SER 137 Cb -0.08 -2.60 2.14 0.00 -1.71 0.00 0.00 66.02 63.77 3ij6 s SER 137 CO 0.05 -1.37 2.27 -0.29 1.20 0.00 0.00 173.24 175.10 3ij6 h ILE 138 N 1.16 0.16 -0.00 6.45 6.09 -1.70 -2.03 117.51 127.64 3ij6 h ILE 138 Ca -0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 62.99 3ij6 h ILE 138 Cb 1.28 0.95 0.00 0.00 0.47 0.00 0.00 36.82 39.52 3ij6 h ILE 138 CO 0.56 0.00 -0.08 0.00 -3.07 0.00 0.00 178.15 175.56 3ij6 n ALA 139 N -2.14 2.67 -1.77 0.18 0.00 -1.26 -4.68 120.51 113.51 3ij6 n ALA 139 Ca -0.02 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.80 3ij6 n ALA 139 Cb 0.13 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3ij6 n ALA 139 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3ij6 s ASP 140 N -2.59 6.58 0.62 0.00 3.68 -0.76 -4.90 116.67 119.30 3ij6 s ASP 140 Ca 0.26 2.85 0.30 0.00 2.13 0.00 0.00 52.55 58.09 3ij6 s ASP 140 Cb 0.20 -2.66 1.62 0.00 -1.45 0.00 0.00 42.92 40.64 3ij6 s ASP 140 CO 0.49 -0.68 1.98 0.07 0.13 0.00 0.00 175.17 177.16 3ij6 h LYS 141 N 3.23 0.00 -0.87 4.34 2.10 -1.90 -1.12 116.57 122.34 3ij6 h LYS 141 Ca -0.50 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.13 3ij6 h LYS 141 Cb 1.23 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.52 3ij6 h LYS 141 CO 0.65 0.00 0.47 1.49 -2.00 0.00 0.00 179.45 180.06 3ij6 h GLU 142 N 0.00 1.22 -0.01 0.07 4.81 -1.95 -2.96 114.58 115.77 3ij6 h GLU 142 Ca 0.10 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3ij6 h GLU 142 Cb 0.76 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3ij6 h GLU 142 CO -0.00 0.90 -0.38 1.19 -0.73 0.00 0.00 179.01 179.99 3ij6 n PHE 143 N -4.35 0.00 -0.07 0.92 3.72 -0.44 -4.37 117.46 112.88 3ij6 n PHE 143 Ca 0.09 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.52 3ij6 n PHE 143 Cb 0.10 -0.16 0.37 0.00 -0.94 0.00 0.00 39.48 38.86 3ij6 n PHE 143 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3ij6 h ARG 144 N 0.80 0.67 -0.83 -1.08 9.65 -1.37 -2.91 114.38 119.31 3ij6 h ARG 144 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3ij6 h ARG 144 Cb 0.52 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.90 3ij6 h ARG 144 CO 0.00 0.45 0.50 -1.35 2.80 0.00 0.00 179.97 182.36 3ij6 h PRO 145 N 0.69 1.13 -0.65 0.20 0.11 -1.76 -1.26 132.00 130.45 3ij6 h PRO 145 Ca 0.19 -0.10 0.07 0.00 0.11 0.00 0.00 66.00 66.27 3ij6 h PRO 145 Cb -0.06 -0.24 -0.06 0.00 0.11 0.00 0.00 31.00 30.75 3ij6 h PRO 145 CO -0.04 0.80 0.33 0.28 -0.21 0.00 0.00 178.00 179.15 3ij6 h VAL 146 N 1.14 0.90 -0.10 3.15 2.07 -1.83 0.34 116.25 121.93 3ij6 h VAL 146 Ca 0.30 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 3ij6 h VAL 146 Cb -0.04 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3ij6 h VAL 146 CO -0.06 0.11 -0.56 -0.07 0.02 0.00 0.00 177.57 177.02 3ij6 h LEU 147 N 0.59 0.32 -0.53 2.57 3.38 -1.45 -2.10 115.31 118.09 3ij6 h LEU 147 Ca 0.31 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3ij6 h LEU 147 Cb 0.27 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3ij6 h LEU 147 CO -0.22 0.81 0.01 0.00 0.09 0.00 0.00 178.44 179.13 3ij6 h ALA 148 N 1.19 0.72 -0.69 1.53 0.00 -0.74 -1.72 119.26 119.55 3ij6 h ALA 148 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.63 3ij6 h ALA 148 Cb 1.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3ij6 h ALA 148 CO 0.09 0.53 0.46 0.37 0.00 0.00 0.00 179.25 180.70 3ij6 h GLN 149 N 0.81 0.91 -0.65 0.00 5.75 -0.77 0.14 115.11 121.30 3ij6 h GLN 149 Ca 0.15 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 3ij6 h GLN 149 Cb 0.52 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.84 3ij6 h GLN 149 CO 0.03 0.60 0.28 0.00 -2.65 0.00 0.00 178.83 177.08 3ij6 h ALA 150 N 1.25 0.84 -0.40 3.38 0.00 -1.27 -1.28 119.26 121.78 3ij6 h ALA 150 Ca 0.25 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ij6 h ALA 150 Cb -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3ij6 h ALA 150 CO -0.06 0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.54 3ij6 h ALA 151 N 1.12 0.55 -0.09 0.00 0.00 -0.81 0.77 119.26 120.81 3ij6 h ALA 151 Ca 0.22 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ij6 h ALA 151 Cb 0.18 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3ij6 h ALA 151 CO -0.02 0.42 0.04 -0.22 0.00 0.00 0.00 179.25 179.47 3ij6 h LYS 152 N 0.59 0.13 -0.08 0.00 3.64 -0.62 -3.08 116.57 117.14 3ij6 h LYS 152 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ij6 h LYS 152 Cb 0.62 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 3ij6 h LYS 152 CO 0.04 0.23 0.00 1.28 -2.27 0.00 0.00 179.45 178.73 3ij6 n LEU 153 N -4.95 1.20 -3.65 5.20 4.77 -0.49 -4.93 117.00 114.15 3ij6 n LEU 153 Ca -0.06 -0.46 -0.23 0.00 -0.03 0.00 0.00 56.01 55.22 3ij6 n LEU 153 Cb 0.10 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 3ij6 n LEU 153 CO 0.34 0.23 0.15 1.41 -1.33 0.00 0.00 177.39 178.19 3ij6 n HIS 154 N -0.02 -2.48 -3.41 -1.77 8.25 -0.62 -5.00 115.22 110.18 3ij6 n HIS 154 Ca 0.17 0.95 -0.41 0.00 -0.26 0.00 0.00 57.72 58.18 3ij6 n HIS 154 Cb 0.27 -4.73 -0.09 0.00 1.12 0.00 0.00 29.99 26.56 3ij6 n HIS 154 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ij6 s VAL 155 N -3.37 5.17 0.49 1.59 1.01 0.17 -4.99 120.40 120.47 3ij6 s VAL 155 Ca 0.40 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.21 3ij6 s VAL 155 Cb -0.18 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.32 3ij6 s VAL 155 CO 0.76 -0.08 1.29 -2.16 0.00 0.00 0.00 175.10 174.91 3ij6 s PRO 156 N 2.01 3.50 0.04 2.72 0.04 -1.26 -4.60 135.00 137.44 3ij6 s PRO 156 Ca 0.12 2.07 0.08 0.00 0.04 0.00 0.00 61.00 63.32 3ij6 s PRO 156 Cb -0.17 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 31.94 3ij6 s PRO 156 CO 0.12 -0.85 -0.24 -0.51 0.04 0.00 0.00 177.00 175.56 3ij6 s LEU 157 N -3.15 2.28 -0.22 -3.56 1.43 0.28 -3.16 118.68 112.58 3ij6 s LEU 157 Ca 0.66 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 3ij6 s LEU 157 Cb -0.36 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3ij6 s LEU 157 CO 0.44 0.27 0.03 0.26 0.23 0.00 0.00 176.35 177.57 3ij6 s TRP 158 N -0.82 3.06 -0.21 0.29 0.23 -0.48 0.20 118.94 121.20 3ij6 s TRP 158 Ca 0.12 -0.49 -0.06 0.00 -2.03 0.00 0.00 56.10 53.64 3ij6 s TRP 158 Cb -0.10 -2.15 -0.03 0.00 0.03 0.00 0.00 33.47 31.22 3ij6 s TRP 158 CO 0.03 -0.32 0.03 1.41 0.96 0.00 0.00 176.95 179.06 3ij6 s MET 159 N 1.31 3.69 -0.05 4.98 1.75 0.11 0.02 119.30 131.12 3ij6 s MET 159 Ca 0.04 -0.48 0.05 0.00 -1.25 0.00 0.00 55.69 54.06 3ij6 s MET 159 Cb -0.15 -3.18 -0.01 0.00 2.84 0.00 0.00 34.83 34.34 3ij6 s MET 159 CO 0.02 -0.00 -0.21 -1.58 -0.65 0.00 0.00 175.02 172.59 3ij6 s HIS 160 N 1.08 2.06 0.81 4.11 2.46 -0.21 -2.65 115.29 122.95 3ij6 s HIS 160 Ca 0.03 -0.58 -0.11 0.00 0.47 0.00 0.00 55.06 54.87 3ij6 s HIS 160 Cb -0.14 -1.36 0.08 0.00 -0.13 0.00 0.00 32.58 31.03 3ij6 s HIS 160 CO 0.02 -0.18 1.12 -1.25 -2.47 0.00 0.00 174.74 171.99 3ij6 s PRO 161 N -0.10 1.87 -0.02 2.88 0.04 -1.26 -1.99 135.00 136.42 3ij6 s PRO 161 Ca -0.03 1.36 -0.15 0.00 0.04 0.00 0.00 61.00 62.22 3ij6 s PRO 161 Cb -0.12 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.60 3ij6 s PRO 161 CO 0.03 -1.96 0.33 0.54 0.04 0.00 0.00 177.00 175.97 3ij6 s VAL 162 N -2.71 0.05 0.31 -0.36 0.11 -1.26 -4.81 120.40 111.74 3ij6 s VAL 162 Ca 0.64 -0.44 -0.29 0.00 -2.93 0.00 0.00 61.98 58.96 3ij6 s VAL 162 Cb -0.20 -0.63 -0.10 0.00 -1.53 0.00 0.00 36.38 33.92 3ij6 s VAL 162 CO 0.55 -0.24 1.37 -0.36 -3.33 0.00 0.00 175.10 173.08 3ij6 s PHE 163 N -1.28 2.99 -0.39 1.54 0.08 -1.26 -4.83 117.98 114.84 3ij6 s PHE 163 Ca -0.13 1.26 -0.21 0.00 0.12 0.00 0.00 56.93 57.97 3ij6 s PHE 163 Cb -0.05 -3.76 0.01 0.00 -0.57 0.00 0.00 43.02 38.65 3ij6 s PHE 163 CO 0.04 -2.24 0.67 0.34 -0.10 0.00 0.00 175.22 173.93 3ij6 s ASP 164 N -0.16 6.41 0.46 1.36 2.15 -1.26 -4.94 116.67 120.68 3ij6 s ASP 164 Ca 0.53 0.02 0.31 0.00 0.43 0.00 0.00 52.55 53.84 3ij6 s ASP 164 Cb -0.41 -2.34 1.30 0.00 -0.30 0.00 0.00 42.92 41.18 3ij6 s ASP 164 CO 0.51 -0.68 1.91 0.00 -0.17 0.00 0.00 175.17 176.74 3ij6 h ALA 165 N 8.62 1.00 0.00 3.66 0.00 -2.01 -2.17 119.26 128.35 3ij6 h ALA 165 Ca -0.26 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ij6 h ALA 165 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3ij6 h ALA 165 CO 0.87 0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.92 3ij6 h ARG 166 N 0.00 0.00 -5.51 0.00 3.08 -2.01 -3.42 114.38 106.52 3ij6 h ARG 166 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3ij6 h ARG 166 Cb 0.42 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.35 3ij6 h ARG 166 CO 0.00 0.20 0.16 0.15 -1.07 0.00 0.00 179.97 179.41 3ij6 s LYS 167 N -3.48 3.84 0.80 0.04 1.02 -0.82 -5.07 119.74 116.06 3ij6 s LYS 167 Ca 0.02 0.24 -0.11 0.00 0.02 0.00 0.00 55.97 56.14 3ij6 s LYS 167 Cb 0.09 -3.75 0.07 0.00 -0.52 0.00 0.00 37.83 33.72 3ij6 s LYS 167 CO 0.64 -0.62 1.11 -2.14 -0.92 0.00 0.00 175.35 173.41 3ij6 s PRO 168 N 2.65 2.00 -1.13 -1.68 0.02 -1.26 -4.15 135.00 131.46 3ij6 s PRO 168 Ca 0.25 1.27 -0.07 0.00 0.02 0.00 0.00 61.00 62.47 3ij6 s PRO 168 Cb -0.15 -1.86 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3ij6 s PRO 168 CO 0.13 -1.85 0.96 -0.25 -0.33 0.00 0.00 177.00 175.65 3ij6 n ASP 169 N -3.62 -5.62 -4.73 2.53 8.00 -1.26 -4.99 116.55 106.86 3ij6 n ASP 169 Ca 0.10 -0.44 -0.42 0.00 0.71 0.00 0.00 54.79 54.75 3ij6 n ASP 169 Cb 0.53 -4.23 -0.03 0.00 -0.02 0.00 0.00 41.12 37.36 3ij6 n ASP 169 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ij6 s ASN 170 N -3.24 6.93 0.20 -2.24 0.01 -1.26 -4.94 114.94 110.40 3ij6 s ASN 170 Ca 0.48 2.29 -0.02 0.00 -0.71 0.00 0.00 52.86 54.89 3ij6 s ASN 170 Cb -0.21 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 3ij6 s ASN 170 CO 0.59 -0.54 0.16 0.54 -1.51 0.00 0.00 177.10 176.34 3ij6 s ASN 171 N 0.68 0.13 0.31 -1.22 2.20 -1.26 -5.05 114.94 110.73 3ij6 s ASN 171 Ca 0.59 -1.33 0.26 0.00 -0.94 0.00 0.00 52.86 51.44 3ij6 s ASN 171 Cb -0.35 0.40 0.78 0.00 -2.00 0.00 0.00 41.25 40.08 3ij6 s ASN 171 CO 0.34 -0.86 1.75 -0.07 -2.94 0.00 0.00 177.10 175.31 3ij6 h LEU 172 N 2.60 0.00 0.10 3.54 3.38 -2.00 -3.20 115.31 119.73 3ij6 h LEU 172 Ca -0.35 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3ij6 h LEU 172 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3ij6 h LEU 172 CO 0.52 0.00 -0.05 0.58 0.09 0.00 0.00 178.44 179.58 3ij6 h VAL 173 N 0.00 0.59 0.00 1.22 2.07 -2.00 -3.44 116.25 114.68 3ij6 h VAL 173 Ca 0.00 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.24 3ij6 h VAL 173 Cb 0.71 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3ij6 h VAL 173 CO 0.00 0.18 -1.15 0.49 0.02 0.00 0.00 177.57 177.11 3ij6 n PHE 174 N -4.84 0.00 -0.11 1.57 3.72 -1.26 -4.83 117.46 111.71 3ij6 n PHE 174 Ca -0.05 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.36 3ij6 n PHE 174 Cb 0.20 -0.11 0.29 0.00 -0.94 0.00 0.00 39.48 38.92 3ij6 n PHE 174 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ij6 h SER 175 N 0.00 0.69 0.29 4.37 0.02 -1.85 -1.75 113.55 115.33 3ij6 h SER 175 Ca -0.06 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3ij6 h SER 175 Cb 1.13 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 3ij6 h SER 175 CO 0.00 0.56 -0.48 -0.50 -1.14 0.00 0.00 176.83 175.28 3ij6 h TRP 176 N 0.78 0.27 0.00 3.45 6.55 -1.88 -2.51 115.95 122.60 3ij6 h TRP 176 Ca 0.20 -0.08 -0.15 0.00 0.95 0.00 0.00 58.89 59.81 3ij6 h TRP 176 Cb 0.03 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 3ij6 h TRP 176 CO 0.00 0.66 -0.69 0.93 -1.05 0.00 0.00 178.44 178.29 3ij6 h GLU 177 N 0.18 0.00 -0.46 0.49 3.07 -1.67 -2.48 114.58 113.71 3ij6 h GLU 177 Ca 0.01 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 3ij6 h GLU 177 Cb 0.91 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 3ij6 h GLU 177 CO 0.07 0.69 -0.13 -0.92 -1.40 0.00 0.00 179.01 177.33 3ij6 h TYR 178 N 0.00 1.01 -0.83 4.33 3.20 -1.27 -2.86 116.97 120.54 3ij6 h TYR 178 Ca -0.01 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.60 3ij6 h TYR 178 Cb 1.51 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 39.50 3ij6 h TYR 178 CO 0.00 1.00 0.38 0.93 -1.64 0.00 0.00 178.16 178.82 3ij6 h GLU 179 N 0.74 1.22 -0.87 1.82 4.39 -1.27 0.23 114.58 120.83 3ij6 h GLU 179 Ca 0.11 -0.19 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 3ij6 h GLU 179 Cb 0.68 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 3ij6 h GLU 179 CO 0.05 0.95 0.44 -0.07 -1.16 0.00 0.00 179.01 179.22 3ij6 h LEU 180 N 1.20 1.12 -0.27 1.33 3.38 -1.49 -0.06 115.31 120.52 3ij6 h LEU 180 Ca 0.28 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3ij6 h LEU 180 Cb 0.15 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3ij6 h LEU 180 CO -0.03 0.93 -0.24 0.28 0.09 0.00 0.00 178.44 179.46 3ij6 h SER 181 N 1.23 0.69 -0.22 -0.43 0.02 -1.21 -1.29 113.55 112.35 3ij6 h SER 181 Ca 0.30 -0.46 0.03 0.00 -0.84 0.00 0.00 61.79 60.81 3ij6 h SER 181 Cb 0.09 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3ij6 h SER 181 CO -0.04 1.01 0.06 1.56 -1.14 0.00 0.00 176.83 178.27 3ij6 h GLN 182 N 0.38 0.14 -0.32 3.45 1.08 -0.80 -0.23 115.11 118.81 3ij6 h GLN 182 Ca 0.05 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3ij6 h GLN 182 Cb 0.80 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 3ij6 h GLN 182 CO 0.06 0.10 0.15 0.00 -0.95 0.00 0.00 178.83 178.19 3ij6 h ALA 183 N 1.15 0.42 -0.71 3.87 0.00 -0.95 0.11 119.26 123.14 3ij6 h ALA 183 Ca 0.10 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3ij6 h ALA 183 Cb 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3ij6 h ALA 183 CO -0.11 -0.01 0.43 0.52 0.00 0.00 0.00 179.25 180.08 3ij6 h MET 184 N 0.38 0.79 0.07 0.00 2.86 -1.09 0.13 114.93 118.09 3ij6 h MET 184 Ca 0.11 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3ij6 h MET 184 Cb 0.14 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3ij6 h MET 184 CO -0.01 0.52 -0.03 1.25 1.06 0.00 0.00 176.91 179.70 3ij6 h LEU 185 N 0.82 -0.08 -1.09 1.22 5.85 -0.58 -0.71 115.31 120.74 3ij6 h LEU 185 Ca 0.30 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ij6 h LEU 185 Cb 0.10 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3ij6 h LEU 185 CO -0.14 0.10 0.62 1.56 -0.34 0.00 0.00 178.44 180.24 3ij6 h GLN 186 N -0.26 1.18 -0.26 1.25 4.20 -0.62 -0.50 115.11 120.09 3ij6 h GLN 186 Ca -0.01 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 3ij6 h GLN 186 Cb 0.23 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 3ij6 h GLN 186 CO 0.02 0.78 -0.10 -0.07 -0.67 0.00 0.00 178.83 178.79 3ij6 h LEU 187 N 1.22 0.54 -0.38 1.46 3.38 -0.88 -2.50 115.31 118.15 3ij6 h LEU 187 Ca 0.36 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ij6 h LEU 187 Cb -0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ij6 h LEU 187 CO -0.09 0.81 0.12 0.58 0.09 0.00 0.00 178.44 179.95 3ij6 h VAL 188 N 0.27 1.21 0.00 1.22 2.07 -0.79 -2.73 116.25 117.50 3ij6 h VAL 188 Ca 0.06 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3ij6 h VAL 188 Cb 0.59 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3ij6 h VAL 188 CO 0.03 0.24 0.00 0.00 0.02 0.00 0.00 177.57 177.86 3ij6 n GLN 189 N -4.63 0.15 -0.94 1.57 10.64 -0.23 -1.84 117.38 122.11 3ij6 n GLN 189 Ca -0.01 0.05 -0.04 0.00 -1.83 0.00 0.00 57.00 55.17 3ij6 n GLN 189 Cb 0.17 -1.50 0.30 0.00 -0.86 0.00 0.00 30.24 28.35 3ij6 n GLN 189 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3ij6 n SER 190 N -1.42 4.73 -2.10 2.61 3.41 -0.94 -4.95 113.62 114.96 3ij6 n SER 190 Ca 0.09 -3.08 -0.20 0.00 -0.26 0.00 0.00 58.87 55.42 3ij6 n SER 190 Cb 0.27 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.47 3ij6 n SER 190 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ij6 n ASP 191 N -0.01 -5.67 0.03 4.04 9.92 -0.77 -4.93 116.55 119.17 3ij6 n ASP 191 Ca 0.36 0.12 -0.11 0.00 -0.53 0.00 0.00 54.79 54.63 3ij6 n ASP 191 Cb 1.29 -4.76 -0.06 0.00 -0.64 0.00 0.00 41.12 36.96 3ij6 n ASP 191 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 3ij6 h LEU 192 N 0.00 -0.11 -0.22 0.64 5.85 -1.64 0.30 115.31 120.12 3ij6 h LEU 192 Ca -0.46 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3ij6 h LEU 192 Cb 1.34 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.43 3ij6 h LEU 192 CO 0.58 -0.06 -0.01 0.49 -0.34 0.00 0.00 178.44 179.10 3ij6 n PHE 193 N -5.15 0.00 0.02 1.25 3.72 -1.26 -0.22 117.46 115.82 3ij6 n PHE 193 Ca -0.06 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.12 3ij6 n PHE 193 Cb 0.08 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 3ij6 n PHE 193 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3ij6 h GLN 194 N 0.54 0.28 0.22 -1.08 1.08 -1.68 -3.11 115.11 111.36 3ij6 h GLN 194 Ca 0.00 -0.47 -0.33 0.00 -1.45 0.00 0.00 58.65 56.40 3ij6 h GLN 194 Cb 0.16 0.18 0.03 0.00 -0.05 0.00 0.00 27.48 27.80 3ij6 h GLN 194 CO 0.00 1.23 -1.42 -0.44 -0.95 0.00 0.00 178.83 177.24 3ij6 h ASP 195 N -0.17 0.82 -2.14 1.46 3.32 -0.98 -3.41 116.42 115.33 3ij6 h ASP 195 Ca -0.34 -0.85 -0.57 0.00 0.02 0.00 0.00 57.03 55.28 3ij6 h ASP 195 Cb 1.87 -0.27 -0.41 0.00 0.22 0.00 0.00 39.33 40.75 3ij6 h ASP 195 CO 0.08 1.66 -0.80 -1.22 -1.72 0.00 0.00 179.24 177.24 3ij6 n TYR 196 N -3.71 2.27 0.11 4.55 4.01 0.69 -4.96 117.16 120.11 3ij6 n TYR 196 Ca -0.16 -3.93 0.04 0.00 -0.16 0.00 0.00 57.90 53.69 3ij6 n TYR 196 Cb 1.08 -0.48 0.18 0.00 -0.31 0.00 0.00 39.34 39.81 3ij6 n TYR 196 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3ij6 n PRO 197 N 0.76 0.04 0.00 -0.72 -0.04 -1.17 -2.69 135.00 131.17 3ij6 n PRO 197 Ca 0.27 0.50 0.10 0.00 -0.04 0.00 0.00 63.50 64.33 3ij6 n PRO 197 Cb 0.47 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 3ij6 n PRO 197 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3ij6 n ASN 198 N -1.69 1.90 -4.73 3.54 6.94 -1.26 -4.98 115.26 114.98 3ij6 n ASN 198 Ca 0.00 -1.45 -0.42 0.00 -0.02 0.00 0.00 54.58 52.70 3ij6 n ASN 198 Cb 0.04 0.50 -0.03 0.00 -2.36 0.00 0.00 39.78 37.93 3ij6 n ASN 198 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3ij6 s LEU 199 N -2.39 4.37 -0.26 -4.53 2.96 -1.10 -5.00 118.68 112.74 3ij6 s LEU 199 Ca 0.17 2.74 -0.11 0.00 -0.22 0.00 0.00 54.13 56.71 3ij6 s LEU 199 Cb 0.17 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 3ij6 s LEU 199 CO 0.54 -0.85 0.18 -0.54 -1.32 0.00 0.00 176.35 174.36 3ij6 s LYS 200 N 0.58 4.01 -0.15 1.98 3.01 -1.26 -4.95 119.74 122.96 3ij6 s LYS 200 Ca 0.68 -0.30 -0.00 0.00 -1.01 0.00 0.00 55.97 55.34 3ij6 s LYS 200 Cb -0.45 -3.60 0.03 0.00 -1.01 0.00 0.00 37.83 32.79 3ij6 s LYS 200 CO 0.37 -0.06 -0.09 0.42 0.51 0.00 0.00 175.35 176.49 3ij6 s ILE 201 N 1.42 1.29 -0.30 2.17 1.01 -1.26 -0.56 121.20 124.97 3ij6 s ILE 201 Ca 0.07 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.94 3ij6 s ILE 201 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 41.00 3ij6 s ILE 201 CO 0.08 0.31 0.70 -0.22 0.00 0.00 0.00 174.94 175.81 3ij6 s LEU 202 N 1.58 4.11 -0.18 2.97 2.96 0.52 -1.11 118.68 129.54 3ij6 s LEU 202 Ca 0.03 0.57 -0.10 0.00 -0.22 0.00 0.00 54.13 54.40 3ij6 s LEU 202 Cb -0.14 -2.94 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 3ij6 s LEU 202 CO -0.09 -0.53 0.16 -0.69 -1.32 0.00 0.00 176.35 173.88 3ij6 s VAL 203 N 2.75 5.40 0.53 1.68 1.01 0.72 0.09 120.40 132.58 3ij6 s VAL 203 Ca 0.28 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 3ij6 s VAL 203 Cb -0.15 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.68 3ij6 s VAL 203 CO 0.12 0.46 1.13 -2.28 0.00 0.00 0.00 175.10 174.52 3ij6 s HIS 204 N 0.16 2.72 -0.52 5.22 2.46 -1.08 -1.56 115.29 122.69 3ij6 s HIS 204 Ca 0.10 1.55 -0.03 0.00 0.47 0.00 0.00 55.06 57.15 3ij6 s HIS 204 Cb -0.12 -3.28 0.00 0.00 -0.13 0.00 0.00 32.58 29.05 3ij6 s HIS 204 CO -0.00 -1.50 0.45 0.72 -2.47 0.00 0.00 174.74 171.94 3ij6 n HIS 205 N -1.17 -1.07 -2.70 3.88 8.25 -1.26 -3.84 115.22 117.30 3ij6 n HIS 205 Ca 0.11 0.40 -0.16 0.00 -0.26 0.00 0.00 57.72 57.80 3ij6 n HIS 205 Cb 0.51 -2.78 -0.00 0.00 1.12 0.00 0.00 29.99 28.84 3ij6 n HIS 205 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ij6 n ALA 206 N -3.15 -0.85 -0.96 -1.41 0.00 -0.63 -1.66 120.51 111.86 3ij6 n ALA 206 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ij6 n ALA 206 Cb 0.54 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3ij6 n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ij6 n GLY 207 N -0.97 0.47 7.00 0.00 0.00 -1.25 -4.79 105.19 105.65 3ij6 n GLY 207 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3ij6 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 n ALA 208 N 0.88 0.00 0.84 4.61 0.00 -0.66 -2.40 120.51 123.78 3ij6 n ALA 208 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3ij6 n ALA 208 Cb 0.00 0.00 0.47 0.00 0.00 0.00 0.00 19.45 19.92 3ij6 n ALA 208 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3ij6 n MET 209 N 14.00 0.11 0.19 0.00 2.81 -1.26 -4.39 117.12 128.57 3ij6 n MET 209 Ca 0.00 0.08 -0.14 0.00 -1.81 0.00 0.00 57.70 55.83 3ij6 n MET 209 Cb 0.00 -1.62 -0.07 0.00 -0.71 0.00 0.00 33.22 30.82 3ij6 n MET 209 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3ij6 h VAL 210 N 0.00 0.48 -0.15 2.03 2.07 -1.83 -2.09 116.25 116.76 3ij6 h VAL 210 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3ij6 h VAL 210 Cb 0.60 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3ij6 h VAL 210 CO 0.00 0.00 0.01 -0.65 0.02 0.00 0.00 177.57 176.95 3ij6 h PRO 211 N -0.54 0.22 0.11 1.57 0.11 -1.78 -1.55 132.00 130.13 3ij6 h PRO 211 Ca -0.01 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.80 3ij6 h PRO 211 Cb 0.49 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3ij6 h PRO 211 CO -0.03 0.24 -1.25 0.35 -0.21 0.00 0.00 178.00 177.09 3ij6 h PHE 212 N 0.22 0.44 -0.76 0.65 3.57 -1.84 -3.34 116.94 115.88 3ij6 h PHE 212 Ca 0.05 -0.32 -0.45 0.00 3.53 0.00 0.00 57.97 60.78 3ij6 h PHE 212 Cb 0.14 -0.02 -0.25 0.00 2.79 0.00 0.00 35.95 38.61 3ij6 h PHE 212 CO 0.00 1.26 0.29 1.19 -2.23 0.00 0.00 178.31 178.83 3ij6 n PHE 213 N -3.50 2.42 0.17 0.41 3.72 -0.79 -4.61 117.46 115.28 3ij6 n PHE 213 Ca -0.08 -2.10 0.02 0.00 -0.05 0.00 0.00 57.45 55.24 3ij6 n PHE 213 Cb 1.02 -0.85 0.28 0.00 -0.94 0.00 0.00 39.48 38.99 3ij6 n PHE 213 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ij6 h SER 214 N 1.37 0.00 -0.83 4.37 4.64 -1.42 -2.60 113.55 119.08 3ij6 h SER 214 Ca 0.47 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 3ij6 h SER 214 Cb 1.84 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.89 3ij6 h SER 214 CO 0.95 0.47 0.47 1.23 -0.87 0.00 0.00 176.83 179.08 3ij6 h GLY 215 N 1.65 1.24 0.76 -0.77 0.00 -1.88 -1.30 103.07 102.78 3ij6 h GLY 215 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 3ij6 h GLY 215 CO 0.06 0.53 -0.13 3.21 0.00 0.00 0.00 176.54 180.21 3ij6 h ARG 216 N 1.17 -0.36 -0.55 4.80 3.08 -1.86 -2.74 114.38 117.93 3ij6 h ARG 216 Ca 0.30 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.47 3ij6 h ARG 216 Cb 0.01 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.04 3ij6 h ARG 216 CO -0.05 -0.08 -0.33 0.82 -1.07 0.00 0.00 179.97 179.26 3ij6 h ILE 217 N -0.61 0.18 -0.48 2.04 2.04 -1.29 -0.86 117.51 118.53 3ij6 h ILE 217 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 3ij6 h ILE 217 Cb 0.44 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3ij6 h ILE 217 CO 0.06 0.00 0.26 0.44 0.00 0.00 0.00 178.15 178.92 3ij6 h ASP 218 N -0.18 0.58 0.43 1.72 5.19 -1.28 -0.58 116.42 122.30 3ij6 h ASP 218 Ca 0.22 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3ij6 h ASP 218 Cb 0.55 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.91 3ij6 h ASP 218 CO -0.65 0.47 -0.59 1.41 -3.12 0.00 0.00 179.24 176.76 3ij6 n HIS 219 N -4.41 0.02 -0.09 4.55 8.25 -0.93 -4.35 115.22 118.26 3ij6 n HIS 219 Ca 0.04 0.01 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 3ij6 n HIS 219 Cb 0.10 -0.23 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 3ij6 n HIS 219 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3ij6 n ILE 220 N -1.53 1.13 -3.88 1.59 5.41 -0.37 -5.01 119.36 116.69 3ij6 n ILE 220 Ca 0.05 -0.49 -0.26 0.00 1.00 0.00 0.00 62.75 63.06 3ij6 n ILE 220 Cb 0.34 -1.07 -0.03 0.00 -0.71 0.00 0.00 39.64 38.17 3ij6 n ILE 220 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3ij6 s LEU 221 N -5.95 4.31 1.04 1.39 1.02 -0.25 -5.10 118.68 115.14 3ij6 s LEU 221 Ca -0.23 0.22 -0.13 0.00 0.02 0.00 0.00 54.13 54.01 3ij6 s LEU 221 Cb 0.06 -2.97 0.21 0.00 0.02 0.00 0.00 46.19 43.51 3ij6 s LEU 221 CO 0.50 0.01 1.09 1.51 0.02 0.00 0.00 176.35 179.48 3ij6 s ASP 222 N -3.30 2.29 0.21 2.29 -4.77 -1.26 -4.70 116.67 107.43 3ij6 s ASP 222 Ca 0.35 1.14 -0.09 0.00 -3.30 0.00 0.00 52.55 50.66 3ij6 s ASP 222 Cb -0.11 -1.79 0.28 0.00 -1.09 0.00 0.00 42.92 40.21 3ij6 s ASP 222 CO 0.29 -3.33 1.76 -0.08 0.70 0.00 0.00 175.17 174.51 3ij6 h GLU 223 N -2.03 0.47 -0.22 2.11 4.57 -1.97 -1.59 114.58 115.92 3ij6 h GLU 223 Ca -0.55 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.60 3ij6 h GLU 223 Cb 1.33 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 3ij6 h GLU 223 CO 0.56 0.31 0.12 0.87 -1.18 0.00 0.00 179.01 179.69 3ij6 h LYS 224 N 0.49 0.31 0.00 1.92 1.57 -2.00 -3.05 116.57 115.80 3ij6 h LYS 224 Ca 0.31 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.93 3ij6 h LYS 224 Cb 0.34 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ij6 h LYS 224 CO -0.27 0.29 -0.61 0.45 -0.57 0.00 0.00 179.45 178.73 3ij6 h HIS 225 N 0.24 0.00 -0.08 -1.35 3.86 -1.86 -2.99 115.15 112.97 3ij6 h HIS 225 Ca 0.08 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.14 3ij6 h HIS 225 Cb 0.07 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3ij6 h HIS 225 CO -0.04 0.61 -0.59 0.00 0.86 0.00 0.00 177.93 178.78 3ij6 h ALA 226 N 1.39 0.84 0.00 2.45 0.00 -1.30 -3.01 119.26 119.63 3ij6 h ALA 226 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ij6 h ALA 226 Cb 1.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3ij6 h ALA 226 CO 0.08 0.72 -0.21 1.96 0.00 0.00 0.00 179.25 181.80 3ij6 h GLN 227 N 0.21 0.00 -0.02 0.00 1.08 -1.55 -3.25 115.11 111.58 3ij6 h GLN 227 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3ij6 h GLN 227 Cb 1.09 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3ij6 h GLN 227 CO 0.09 0.00 -0.12 -0.44 -0.95 0.00 0.00 178.83 177.41 3ij6 h ASP 228 N 0.00 0.03 0.20 1.46 5.19 -1.38 -2.42 116.42 119.49 3ij6 h ASP 228 Ca 0.00 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3ij6 h ASP 228 Cb 0.82 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.32 3ij6 h ASP 228 CO 0.00 0.16 -0.07 -0.26 -3.12 0.00 0.00 179.24 175.95 3ij6 h PHE 229 N 0.03 0.00 0.00 4.55 0.04 -1.64 -1.84 116.94 118.08 3ij6 h PHE 229 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3ij6 h PHE 229 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3ij6 h PHE 229 CO 0.00 0.07 0.00 1.63 -0.60 0.00 0.00 178.31 179.41 3ij6 n LYS 230 N -3.75 0.33 0.16 1.51 5.02 -0.91 -3.50 118.16 117.02 3ij6 n LYS 230 Ca -0.02 0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.35 3ij6 n LYS 230 Cb 0.17 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.78 3ij6 n LYS 230 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3ij6 h LYS 231 N 0.00 0.00 -7.01 1.97 1.79 -1.46 -3.46 116.57 108.40 3ij6 h LYS 231 Ca 0.00 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 3ij6 h LYS 231 Cb 0.27 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.01 3ij6 h LYS 231 CO 0.00 0.44 0.55 -0.06 -1.08 0.00 0.00 179.45 179.29 3ij6 s PHE 232 N -3.10 2.66 0.19 -1.35 0.08 -1.23 -4.79 117.98 110.44 3ij6 s PHE 232 Ca 0.03 1.46 -0.02 0.00 0.12 0.00 0.00 56.93 58.52 3ij6 s PHE 232 Cb 0.08 -3.57 -0.05 0.00 -0.57 0.00 0.00 43.02 38.91 3ij6 s PHE 232 CO 0.73 -2.09 0.39 0.71 -0.10 0.00 0.00 175.22 174.86 3ij6 s TYR 233 N -1.42 3.48 0.04 0.36 2.02 -0.27 -4.97 117.35 116.59 3ij6 s TYR 233 Ca 0.65 0.42 0.02 0.00 -0.37 0.00 0.00 57.07 57.79 3ij6 s TYR 233 Cb -0.34 -1.91 -0.02 0.00 -0.40 0.00 0.00 41.96 39.29 3ij6 s TYR 233 CO 0.41 0.38 -0.07 0.14 -1.57 0.00 0.00 175.55 174.84 3ij6 s VAL 234 N -1.82 0.51 0.70 0.71 -7.23 -0.16 -0.20 120.40 112.91 3ij6 s VAL 234 Ca 0.39 -0.96 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 3ij6 s VAL 234 Cb -0.11 -0.56 0.12 0.00 0.56 0.00 0.00 36.38 36.39 3ij6 s VAL 234 CO 0.28 -0.32 0.96 1.51 -0.31 0.00 0.00 175.10 177.22 3ij6 s ASP 235 N -1.39 4.46 -0.26 4.85 1.47 -0.60 -0.32 116.67 124.89 3ij6 s ASP 235 Ca -0.09 -0.46 0.13 0.00 1.18 0.00 0.00 52.55 53.32 3ij6 s ASP 235 Cb -0.09 0.06 0.78 0.00 -0.34 0.00 0.00 42.92 43.33 3ij6 s ASP 235 CO 0.00 -1.78 1.74 0.35 0.68 0.00 0.00 175.17 176.16 3ij6 n THR 236 N -2.73 2.78 -1.48 2.11 -2.24 -0.08 -1.60 114.28 111.04 3ij6 n THR 236 Ca 0.15 -1.52 -0.40 0.00 -2.27 0.00 0.00 64.05 60.02 3ij6 n THR 236 Cb 0.61 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3ij6 n THR 236 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ij6 n ALA 237 N 0.34 6.89 -1.36 6.98 0.00 -1.11 -4.30 120.51 127.95 3ij6 n ALA 237 Ca 0.31 -3.67 0.08 0.00 0.00 0.00 0.00 53.44 50.15 3ij6 n ALA 237 Cb 1.22 -3.40 0.18 0.00 0.00 0.00 0.00 19.45 17.45 3ij6 n ALA 237 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3ij6 n ILE 238 N 3.97 2.06 -3.50 0.00 -5.35 -1.26 -4.16 119.36 111.12 3ij6 n ILE 238 Ca 0.69 -2.80 -0.20 0.00 -0.27 0.00 0.00 62.75 60.17 3ij6 n ILE 238 Cb 0.28 -0.24 0.06 0.00 -1.74 0.00 0.00 39.64 38.00 3ij6 n ILE 238 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ij6 n LEU 239 N -1.26 -4.06 0.00 7.28 4.77 -1.26 -4.58 117.00 117.89 3ij6 n LEU 239 Ca 0.18 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 3ij6 n LEU 239 Cb 0.67 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.85 3ij6 n LEU 239 CO -0.02 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 3ij6 n GLY 240 N -1.38 0.92 2.71 -0.72 0.00 -1.26 -4.91 105.19 100.56 3ij6 n GLY 240 Ca -0.20 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 3ij6 n GLY 240 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ij6 n ASN 241 N 0.95 -6.85 0.10 1.61 2.85 -1.26 -4.76 115.26 107.90 3ij6 n ASN 241 Ca 0.00 0.17 -0.12 0.00 -0.11 0.00 0.00 54.58 54.52 3ij6 n ASN 241 Cb 0.00 -4.60 -0.06 0.00 1.24 0.00 0.00 39.78 36.37 3ij6 n ASN 241 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3ij6 h THR 242 N 0.97 0.58 0.00 -0.44 2.02 -1.97 -1.12 112.91 112.95 3ij6 h THR 242 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3ij6 h THR 242 Cb 0.92 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3ij6 h THR 242 CO 0.21 0.00 -0.13 1.55 0.37 0.00 0.00 175.52 177.52 3ij6 h PRO 243 N -0.35 0.00 -0.03 6.66 0.13 -1.93 -0.07 132.00 136.40 3ij6 h PRO 243 Ca 0.02 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 3ij6 h PRO 243 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 3ij6 h PRO 243 CO -0.10 0.13 -0.65 0.00 -0.23 0.00 0.00 178.00 177.15 3ij6 h ALA 244 N 1.87 0.85 -0.06 -0.56 0.00 -1.85 -0.96 119.26 118.56 3ij6 h ALA 244 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 3ij6 h ALA 244 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ij6 h ALA 244 CO 0.02 0.78 -0.52 -0.07 0.00 0.00 0.00 179.25 179.46 3ij6 h LEU 245 N 0.10 0.18 -0.21 0.00 3.38 -0.10 -2.22 115.31 116.43 3ij6 h LEU 245 Ca -0.01 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3ij6 h LEU 245 Cb 1.16 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 3ij6 h LEU 245 CO 0.09 0.66 -0.12 -0.61 0.09 0.00 0.00 178.44 178.55 3ij6 h GLN 246 N 0.13 0.46 -0.70 1.13 5.75 -0.81 -1.88 115.11 119.18 3ij6 h GLN 246 Ca 0.00 -0.21 0.10 0.00 -0.15 0.00 0.00 58.65 58.39 3ij6 h GLN 246 Cb 0.96 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 29.43 3ij6 h GLN 246 CO 0.08 0.75 0.32 1.25 -2.65 0.00 0.00 178.83 178.58 3ij6 h LEU 247 N 0.16 0.39 -0.81 -2.39 5.85 -1.13 0.23 115.31 117.60 3ij6 h LEU 247 Ca 0.04 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3ij6 h LEU 247 Cb 0.63 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3ij6 h LEU 247 CO 0.04 0.22 0.51 0.00 -0.34 0.00 0.00 178.44 178.87 3ij6 h ALA 248 N 1.45 1.08 -0.24 1.25 0.00 -1.34 -1.67 119.26 119.79 3ij6 h ALA 248 Ca 0.35 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 3ij6 h ALA 248 Cb 0.41 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ij6 h ALA 248 CO -0.30 0.31 -0.12 0.82 0.00 0.00 0.00 179.25 179.97 3ij6 h ILE 249 N 0.99 1.30 -0.93 0.00 2.04 -0.31 -0.19 117.51 120.41 3ij6 h ILE 249 Ca 0.33 -1.20 0.14 0.00 1.00 0.00 0.00 64.86 65.13 3ij6 h ILE 249 Cb 0.05 1.57 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 3ij6 h ILE 249 CO -0.13 0.37 0.59 0.44 0.00 0.00 0.00 178.15 179.43 3ij6 h ASP 250 N 0.23 0.74 0.00 1.72 3.32 -0.51 0.02 116.42 121.94 3ij6 h ASP 250 Ca 0.05 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3ij6 h ASP 250 Cb 0.62 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3ij6 h ASP 250 CO 0.04 0.37 -0.23 0.22 -1.72 0.00 0.00 179.24 177.92 3ij6 h TYR 251 N 0.78 0.00 0.00 4.55 3.20 -1.13 -3.40 116.97 120.98 3ij6 h TYR 251 Ca 0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.34 3ij6 h TYR 251 Cb 0.66 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3ij6 h TYR 251 CO -0.00 0.82 -0.75 1.88 -1.64 0.00 0.00 178.16 178.46 3ij6 h TYR 252 N -1.00 0.00 0.00 -3.82 0.05 -1.03 -3.48 116.97 107.69 3ij6 h TYR 252 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3ij6 h TYR 252 Cb 0.82 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3ij6 h TYR 252 CO 0.17 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.69 3ij6 n GLY 253 N 1.24 -0.96 0.40 3.88 0.00 -0.01 -4.40 105.19 105.35 3ij6 n GLY 253 Ca 0.02 -1.40 0.22 0.00 0.00 0.00 0.00 46.02 44.85 3ij6 n GLY 253 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ij6 h ILE 254 N 0.00 0.70 0.00 -0.61 6.09 -1.92 -1.90 117.51 119.87 3ij6 h ILE 254 Ca 0.00 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.48 3ij6 h ILE 254 Cb 0.00 0.67 0.00 0.00 0.47 0.00 0.00 36.82 37.96 3ij6 h ILE 254 CO 0.00 0.01 0.00 0.47 -3.07 0.00 0.00 178.15 175.56 3ij6 n ASP 255 N -4.36 0.00 -0.49 2.19 8.00 -1.26 -3.20 116.55 117.43 3ij6 n ASP 255 Ca 0.12 -0.35 0.06 0.00 0.71 0.00 0.00 54.79 55.33 3ij6 n ASP 255 Cb 0.67 -0.21 0.06 0.00 -0.02 0.00 0.00 41.12 41.63 3ij6 n ASP 255 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3ij6 n HIS 256 N -1.21 0.07 -3.68 1.24 8.25 -0.71 -4.90 115.22 114.28 3ij6 n HIS 256 Ca 0.16 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 57.16 3ij6 n HIS 256 Cb 0.20 -0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.19 3ij6 n HIS 256 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3ij6 s VAL 257 N -0.97 4.19 -0.08 1.59 1.01 -1.19 -0.99 120.40 123.96 3ij6 s VAL 257 Ca 0.15 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 3ij6 s VAL 257 Cb 0.10 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3ij6 s VAL 257 CO 0.15 -0.19 -0.01 -0.76 0.00 0.00 0.00 175.10 174.29 3ij6 s LEU 258 N 1.48 3.51 0.10 3.92 1.02 0.56 -4.22 118.68 125.06 3ij6 s LEU 258 Ca 0.00 0.11 -0.31 0.00 0.02 0.00 0.00 54.13 53.96 3ij6 s LEU 258 Cb -0.19 -1.80 -0.09 0.00 0.02 0.00 0.00 46.19 44.13 3ij6 s LEU 258 CO 0.05 0.37 1.72 0.12 0.02 0.00 0.00 176.35 178.63 3ij6 s PHE 259 N -0.84 2.37 -0.03 0.29 5.36 0.03 -0.90 117.98 124.26 3ij6 s PHE 259 Ca 0.13 0.20 -0.25 0.00 -0.96 0.00 0.00 56.93 56.05 3ij6 s PHE 259 Cb -0.11 -4.05 0.05 0.00 -0.34 0.00 0.00 43.02 38.56 3ij6 s PHE 259 CO 0.02 -4.26 0.54 0.20 -1.46 0.00 0.00 175.22 170.27 3ij6 s GLY 260 N 2.40 -0.42 0.00 13.12 0.00 -1.26 -0.82 107.32 120.34 3ij6 s GLY 260 Ca 0.76 0.90 0.00 0.00 0.00 0.00 0.00 44.72 46.39 3ij6 s GLY 260 CO 0.34 0.60 0.00 -1.30 0.00 0.00 0.00 173.10 172.74 3ij6 n THR 261 N 0.96 0.00 -1.24 0.90 -2.24 -1.21 -2.74 114.28 108.70 3ij6 n THR 261 Ca -0.20 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.50 3ij6 n THR 261 Cb 0.57 -0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 3ij6 n THR 261 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ij6 n ASP 262 N -1.85 -3.94 -4.68 3.42 2.03 -0.47 -4.49 116.55 106.57 3ij6 n ASP 262 Ca 0.00 0.19 -0.43 0.00 0.52 0.00 0.00 54.79 55.07 3ij6 n ASP 262 Cb 0.35 -2.16 -0.01 0.00 -0.72 0.00 0.00 41.12 38.59 3ij6 n ASP 262 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ij6 n ALA 263 N 1.11 1.09 -0.30 -1.67 0.00 -1.26 -1.02 120.51 118.46 3ij6 n ALA 263 Ca -0.08 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.81 3ij6 n ALA 263 Cb 0.27 -2.23 0.31 0.00 0.00 0.00 0.00 19.45 17.80 3ij6 n ALA 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ij6 n PRO 264 N 0.72 3.40 -1.16 0.00 -0.04 -1.26 0.51 135.00 137.17 3ij6 n PRO 264 Ca 0.06 -2.46 -0.29 0.00 -0.04 0.00 0.00 63.50 60.77 3ij6 n PRO 264 Cb 0.35 -1.83 0.16 0.00 -0.04 0.00 0.00 33.50 32.14 3ij6 n PRO 264 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3ij6 s PHE 265 N -1.85 2.17 0.00 0.54 0.08 -0.19 -3.02 117.98 115.72 3ij6 s PHE 265 Ca 0.44 1.13 0.00 0.00 0.12 0.00 0.00 56.93 58.62 3ij6 s PHE 265 Cb 0.29 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 3ij6 s PHE 265 CO 0.21 -2.69 0.00 0.00 -0.10 0.00 0.00 175.22 172.63 3ij6 n ALA 266 N -4.07 0.00 -3.29 5.36 0.00 -1.26 -4.37 120.51 112.89 3ij6 n ALA 266 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.16 3ij6 n ALA 266 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 3ij6 n ALA 266 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3ij6 s VAL 267 N 0.00 3.08 0.00 0.00 1.01 -1.26 -5.05 120.40 118.19 3ij6 s VAL 267 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 3ij6 s VAL 267 Cb 0.00 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 3ij6 s VAL 267 CO 0.00 0.50 0.44 -0.04 0.00 0.00 0.00 175.10 176.00 3ij6 s MET 268 N 0.75 4.01 -0.05 2.72 -1.94 -1.26 -1.07 119.30 122.47 3ij6 s MET 268 Ca -0.05 0.48 0.03 0.00 -1.71 0.00 0.00 55.69 54.44 3ij6 s MET 268 Cb -0.15 -3.24 -0.25 0.00 2.01 0.00 0.00 34.83 33.20 3ij6 s MET 268 CO 0.01 0.63 0.65 -1.00 -0.01 0.00 0.00 175.02 175.31 3ij6 h PRO 269 N 4.86 0.13 -0.21 2.03 0.13 -1.94 -3.46 132.00 133.55 3ij6 h PRO 269 Ca -0.50 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 3ij6 h PRO 269 Cb 1.21 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3ij6 h PRO 269 CO 0.63 0.86 0.00 0.43 -0.23 0.00 0.00 178.00 179.70 3ij6 n SER 270 N -3.28 2.95 0.00 1.44 7.64 -1.23 -4.76 113.62 116.38 3ij6 n SER 270 Ca -0.20 -2.45 0.00 0.00 1.01 0.00 0.00 58.87 57.22 3ij6 n SER 270 Cb 1.04 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 3ij6 n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ij6 n GLY 271 N -0.26 -1.88 2.08 0.23 0.00 -0.23 -4.39 105.19 100.75 3ij6 n GLY 271 Ca 0.13 -2.18 -0.19 0.00 0.00 0.00 0.00 46.02 43.78 3ij6 n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ij6 n ALA 272 N 0.01 5.28 -0.19 4.61 0.00 -1.26 -4.67 120.51 124.30 3ij6 n ALA 272 Ca 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 53.44 50.60 3ij6 n ALA 272 Cb 0.00 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.15 3ij6 n ALA 272 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3ij6 h ASP 273 N 1.32 -0.68 -0.12 0.00 1.82 -1.90 -1.13 116.42 115.74 3ij6 h ASP 273 Ca 0.53 0.19 -0.04 0.00 -0.39 0.00 0.00 57.03 57.32 3ij6 h ASP 273 Cb 2.66 0.41 -0.00 0.00 0.68 0.00 0.00 39.33 43.07 3ij6 h ASP 273 CO 0.97 -0.22 -0.07 -0.61 -1.61 0.00 0.00 179.24 177.69 3ij6 h GLN 274 N -0.05 0.25 -0.34 0.28 4.15 -1.92 0.25 115.11 117.73 3ij6 h GLN 274 Ca 0.27 -0.12 0.04 0.00 0.77 0.00 0.00 58.65 59.61 3ij6 h GLN 274 Cb 0.46 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.11 3ij6 h GLN 274 CO -0.61 0.62 0.11 0.82 -1.93 0.00 0.00 178.83 177.84 3ij6 h ILE 275 N -0.11 0.89 -0.33 2.39 2.04 -1.89 -0.74 117.51 119.76 3ij6 h ILE 275 Ca 0.02 -0.09 -0.13 0.00 1.00 0.00 0.00 64.86 65.67 3ij6 h ILE 275 Cb 0.55 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3ij6 h ILE 275 CO 0.02 0.05 -0.28 0.40 0.00 0.00 0.00 178.15 178.33 3ij6 h ILE 276 N 0.25 1.29 -0.63 -0.67 2.04 -1.20 -2.03 117.51 116.57 3ij6 h ILE 276 Ca 0.15 -1.44 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 3ij6 h ILE 276 Cb 0.13 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3ij6 h ILE 276 CO -0.16 0.47 0.37 0.74 0.00 0.00 0.00 178.15 179.56 3ij6 h THR 277 N 0.56 1.19 -0.69 -0.27 2.02 -0.80 -1.95 112.91 112.96 3ij6 h THR 277 Ca 0.06 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 3ij6 h THR 277 Cb 0.85 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.58 3ij6 h THR 277 CO 0.07 0.20 0.33 -0.61 0.37 0.00 0.00 175.52 175.88 3ij6 h GLN 278 N 0.85 1.00 -0.96 6.66 5.75 -1.10 -1.46 115.11 125.86 3ij6 h GLN 278 Ca 0.22 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3ij6 h GLN 278 Cb -0.00 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 3ij6 h GLN 278 CO -0.04 0.80 0.63 0.00 -2.65 0.00 0.00 178.83 177.57 3ij6 h ALA 279 N 1.15 1.23 -0.30 3.38 0.00 -0.94 0.62 119.26 124.41 3ij6 h ALA 279 Ca 0.24 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3ij6 h ALA 279 Cb 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3ij6 h ALA 279 CO -0.03 0.58 0.01 0.82 0.00 0.00 0.00 179.25 180.63 3ij6 h ILE 280 N 1.28 1.25 0.00 0.00 2.04 -1.24 -3.08 117.51 117.77 3ij6 h ILE 280 Ca 0.36 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3ij6 h ILE 280 Cb -0.11 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3ij6 h ILE 280 CO -0.09 0.30 -0.05 0.78 0.00 0.00 0.00 178.15 179.09 3ij6 h ASN 281 N 0.31 0.00 0.45 1.72 2.35 -0.70 -2.58 115.58 117.14 3ij6 h ASN 281 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 3ij6 h ASN 281 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3ij6 h ASN 281 CO 0.01 0.05 0.00 0.47 -1.65 0.00 0.00 177.43 176.32 3ij6 n ASP 282 N -4.46 0.00 -4.78 5.81 8.00 0.16 -4.86 116.55 116.42 3ij6 n ASP 282 Ca -0.03 -0.23 -0.36 0.00 0.71 0.00 0.00 54.79 54.88 3ij6 n ASP 282 Cb 0.13 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 3ij6 n ASP 282 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3ij6 s LEU 283 N -2.49 3.98 -1.28 0.64 1.43 -0.97 -4.96 118.68 115.03 3ij6 s LEU 283 Ca 0.29 2.17 -0.06 0.00 -1.03 0.00 0.00 54.13 55.50 3ij6 s LEU 283 Cb 0.19 -4.32 0.15 0.00 0.03 0.00 0.00 46.19 42.24 3ij6 s LEU 283 CO 0.41 -0.83 2.21 0.41 0.23 0.00 0.00 176.35 178.78 3ij6 n THR 284 N -0.57 5.15 -4.44 5.49 -1.04 -1.26 -4.92 114.28 112.70 3ij6 n THR 284 Ca 0.08 -4.54 -0.21 0.00 -2.04 0.00 0.00 64.05 57.34 3ij6 n THR 284 Cb 0.49 -2.09 -0.10 0.00 -1.82 0.00 0.00 70.33 66.82 3ij6 n THR 284 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3ij6 s ILE 285 N -1.19 1.01 0.77 12.58 -4.36 -1.26 -5.15 121.20 123.59 3ij6 s ILE 285 Ca 0.49 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.78 3ij6 s ILE 285 Cb 0.16 -2.71 0.05 0.00 1.25 0.00 0.00 42.46 41.22 3ij6 s ILE 285 CO -0.07 0.00 1.09 -0.94 0.24 0.00 0.00 174.94 175.26 3ij6 s SER 286 N -3.47 4.56 0.35 4.36 1.04 -1.26 -4.90 113.70 114.38 3ij6 s SER 286 Ca 0.35 1.81 0.06 0.00 0.48 0.00 0.00 55.95 58.65 3ij6 s SER 286 Cb 0.08 -2.52 0.64 0.00 0.10 0.00 0.00 66.02 64.32 3ij6 s SER 286 CO 0.15 -2.00 1.85 0.44 0.98 0.00 0.00 173.24 174.67 3ij6 h ASP 287 N -1.10 0.36 -0.94 7.02 3.32 -1.99 -1.85 116.42 121.23 3ij6 h ASP 287 Ca -0.44 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3ij6 h ASP 287 Cb 1.23 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3ij6 h ASP 287 CO 0.52 0.52 0.60 0.50 -1.72 0.00 0.00 179.24 179.66 3ij6 h LYS 288 N 0.35 1.26 -0.08 3.56 3.64 -1.98 -1.71 116.57 121.60 3ij6 h LYS 288 Ca 0.07 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.20 3ij6 h LYS 288 Cb 0.44 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3ij6 h LYS 288 CO 0.03 0.85 -0.61 -0.44 -2.27 0.00 0.00 179.45 177.01 3ij6 h ASP 289 N 1.29 0.34 -0.03 4.20 3.32 -1.72 -1.22 116.42 122.59 3ij6 h ASP 289 Ca 0.34 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 3ij6 h ASP 289 Cb -0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3ij6 h ASP 289 CO -0.07 0.87 -0.44 0.11 -1.72 0.00 0.00 179.24 177.99 3ij6 h LYS 290 N 0.22 0.57 0.00 3.56 1.57 -1.31 -2.63 116.57 118.56 3ij6 h LYS 290 Ca -0.01 -0.31 -0.09 0.00 -1.87 0.00 0.00 60.65 58.38 3ij6 h LYS 290 Cb 1.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 3ij6 h LYS 290 CO 0.10 0.90 -0.41 0.37 -0.57 0.00 0.00 179.45 179.84 3ij6 h GLN 291 N 0.46 0.00 -0.09 3.15 4.15 -1.05 0.39 115.11 122.12 3ij6 h GLN 291 Ca 0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3ij6 h GLN 291 Cb 0.96 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 3ij6 h GLN 291 CO 0.09 0.41 0.03 0.87 -1.93 0.00 0.00 178.83 178.29 3ij6 h LYS 292 N 0.00 0.13 0.01 1.69 1.57 -1.12 -1.33 116.57 117.52 3ij6 h LYS 292 Ca -0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ij6 h LYS 292 Cb 0.77 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3ij6 h LYS 292 CO 0.05 0.30 -0.00 0.82 -0.57 0.00 0.00 179.45 180.04 3ij6 h ILE 293 N -0.05 1.05 -0.24 1.86 2.04 -1.04 0.12 117.51 121.25 3ij6 h ILE 293 Ca 0.03 -0.19 -0.14 0.00 1.00 0.00 0.00 64.86 65.56 3ij6 h ILE 293 Cb 0.22 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3ij6 h ILE 293 CO -0.00 0.05 -0.42 -0.26 0.00 0.00 0.00 178.15 177.52 3ij6 h PHE 294 N -0.09 0.69 0.00 1.37 0.04 -1.02 0.13 116.94 118.06 3ij6 h PHE 294 Ca -0.00 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.56 3ij6 h PHE 294 Cb 0.09 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.09 3ij6 h PHE 294 CO -0.05 0.91 0.00 1.58 -0.60 0.00 0.00 178.31 180.15 3ij6 n HIS 295 N -4.02 -1.16 -0.13 -0.55 -0.00 -0.73 -0.58 115.22 108.05 3ij6 n HIS 295 Ca -0.02 0.20 -0.10 0.00 0.46 0.00 0.00 57.72 58.27 3ij6 n HIS 295 Cb 0.53 0.38 0.03 0.00 -0.12 0.00 0.00 29.99 30.81 3ij6 n HIS 295 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 3ij6 h ASP 296 N 0.00 0.93 -0.29 0.26 3.32 -0.94 -2.68 116.42 117.02 3ij6 h ASP 296 Ca 0.00 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 3ij6 h ASP 296 Cb 0.00 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 3ij6 h ASP 296 CO 0.00 1.12 0.16 0.78 -1.72 0.00 0.00 179.24 179.57 3ij6 h ASN 297 N 0.78 0.39 -0.30 6.45 2.35 -1.03 -1.23 115.58 122.99 3ij6 h ASN 297 Ca 0.10 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3ij6 h ASN 297 Cb 0.79 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 3ij6 h ASN 297 CO 0.07 0.33 0.10 0.22 -1.65 0.00 0.00 177.43 176.50 3ij6 h TYR 298 N 0.44 0.47 -0.02 1.19 3.20 -1.69 -1.73 116.97 118.84 3ij6 h TYR 298 Ca 0.11 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3ij6 h TYR 298 Cb 0.04 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3ij6 h TYR 298 CO 0.00 0.48 -0.60 1.88 -1.64 0.00 0.00 178.16 178.29 3ij6 h TYR 299 N 0.33 0.07 -0.30 -3.82 0.05 -1.40 -2.29 116.97 109.61 3ij6 h TYR 299 Ca 0.10 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.77 3ij6 h TYR 299 Cb 0.22 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 3ij6 h TYR 299 CO 0.00 0.64 -0.17 0.77 -1.05 0.00 0.00 178.16 178.35 3ij6 h SER 300 N 0.04 0.54 -0.05 3.88 0.02 -1.22 -2.44 113.55 114.32 3ij6 h SER 300 Ca -0.01 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 3ij6 h SER 300 Cb 1.06 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 3ij6 h SER 300 CO 0.08 0.73 -0.35 0.25 -1.14 0.00 0.00 176.83 176.40 3ij6 h LEU 301 N 0.49 0.55 0.00 5.07 5.85 -0.77 -3.26 115.31 123.25 3ij6 h LEU 301 Ca 0.08 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3ij6 h LEU 301 Cb 0.58 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3ij6 h LEU 301 CO 0.04 0.86 -1.00 2.30 -0.34 0.00 0.00 178.44 180.30 3ij6 n ILE 302 N -4.06 0.06 1.91 4.05 -5.35 -0.95 -4.69 119.36 110.33 3ij6 n ILE 302 Ca -0.01 -0.12 0.16 0.00 -0.27 0.00 0.00 62.75 62.51 3ij6 n ILE 302 Cb 0.48 0.52 0.88 0.00 -1.74 0.00 0.00 39.64 39.77 3ij6 n ILE 302 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08