#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dl9 n PRO 40 N 0.00 1.15 -1.84 -7.13 -0.02 -1.26 -4.88 135.00 121.02 3dl9 n PRO 40 Ca 0.00 0.44 -0.29 0.00 -2.02 0.00 0.00 63.50 61.63 3dl9 n PRO 40 Cb 0.00 -2.38 0.12 0.00 -0.02 0.00 0.00 33.50 31.22 3dl9 n PRO 40 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dl9 s PRO 41 N -2.98 1.55 0.06 0.52 0.04 -1.26 -4.17 135.00 128.76 3dl9 s PRO 41 Ca 0.77 0.04 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 3dl9 s PRO 41 Cb -0.41 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.32 3dl9 s PRO 41 CO 0.45 -1.87 1.18 0.20 0.04 0.00 0.00 177.00 177.01 3dl9 s GLY 42 N -4.54 -0.14 0.31 0.56 0.00 -1.26 -0.48 107.32 101.77 3dl9 s GLY 42 Ca 0.64 0.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.18 3dl9 s GLY 42 CO 0.50 2.64 1.48 2.56 0.00 0.00 0.00 173.10 180.29 3dl9 s PRO 43 N -2.31 4.19 0.43 2.90 0.04 -1.26 -4.95 135.00 134.06 3dl9 s PRO 43 Ca 0.21 2.44 -0.24 0.00 0.04 0.00 0.00 61.00 63.46 3dl9 s PRO 43 Cb 0.00 -3.04 -0.08 0.00 0.04 0.00 0.00 34.50 31.42 3dl9 s PRO 43 CO 0.01 -0.48 1.21 -1.25 0.04 0.00 0.00 177.00 176.53 3dl9 s PRO 44 N -1.07 3.85 0.06 0.56 0.04 -1.26 -4.82 135.00 132.36 3dl9 s PRO 44 Ca 0.57 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3dl9 s PRO 44 Cb -0.45 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 3dl9 s PRO 44 CO 0.51 -0.51 0.01 0.41 0.04 0.00 0.00 177.00 177.46 3dl9 n GLY 45 N 0.58 4.07 3.83 0.56 0.00 -1.26 -4.92 105.19 108.05 3dl9 n GLY 45 Ca 0.06 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 3dl9 n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dl9 s LEU 46 N 0.00 3.48 0.48 0.99 1.43 -1.03 -4.85 118.68 119.18 3dl9 s LEU 46 Ca 0.01 1.66 -0.24 0.00 -1.03 0.00 0.00 54.13 54.53 3dl9 s LEU 46 Cb 0.00 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.64 3dl9 s LEU 46 CO 0.01 -0.94 1.34 -2.16 0.23 0.00 0.00 176.35 174.83 3dl9 s PRO 47 N -4.29 3.55 0.00 1.29 0.04 -1.26 -1.25 135.00 133.07 3dl9 s PRO 47 Ca 0.60 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.86 3dl9 s PRO 47 Cb -0.13 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.92 3dl9 s PRO 47 CO 0.38 -0.86 0.00 1.19 0.04 0.00 0.00 177.00 177.75 3dl9 n PHE 48 N -0.48 0.00 0.25 0.56 0.99 -1.26 -4.30 117.46 113.22 3dl9 n PHE 48 Ca 0.07 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.66 3dl9 n PHE 48 Cb 0.44 0.00 0.51 0.00 -1.00 0.00 0.00 39.48 39.43 3dl9 n PHE 48 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.76 175.92 3dl9 h ILE 49 N 0.00 0.21 0.00 4.37 3.07 -1.92 -3.35 117.51 119.89 3dl9 h ILE 49 Ca 0.00 -0.84 0.00 0.00 1.55 0.00 0.00 64.86 65.57 3dl9 h ILE 49 Cb 0.00 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 3dl9 h ILE 49 CO 0.00 0.09 0.00 0.61 -1.05 0.00 0.00 178.15 177.80 3dl9 n GLY 50 N 0.28 3.01 0.30 0.16 0.00 -0.38 -2.28 105.19 106.28 3dl9 n GLY 50 Ca 0.01 -0.28 0.14 0.00 0.00 0.00 0.00 46.02 45.90 3dl9 n GLY 50 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dl9 n ASN 51 N 3.59 0.97 -0.33 1.61 4.13 0.69 -2.45 115.26 123.48 3dl9 n ASN 51 Ca 0.00 -1.19 0.19 0.00 1.68 0.00 0.00 54.58 55.26 3dl9 n ASN 51 Cb 0.00 0.00 0.40 0.00 -1.54 0.00 0.00 39.78 38.64 3dl9 n ASN 51 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3dl9 h ILE 52 N 1.46 0.39 0.06 2.41 2.04 -1.66 -1.72 117.51 120.49 3dl9 h ILE 52 Ca 0.00 -0.13 -0.28 0.00 1.00 0.00 0.00 64.86 65.45 3dl9 h ILE 52 Cb 0.37 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3dl9 h ILE 52 CO 0.00 0.07 -1.43 1.88 0.00 0.00 0.00 178.15 178.67 3dl9 h TYR 53 N 0.38 0.22 -0.61 1.37 -1.99 -1.84 -1.54 116.97 112.96 3dl9 h TYR 53 Ca 0.66 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 61.17 3dl9 h TYR 53 Cb 1.37 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 40.07 3dl9 h TYR 53 CO -0.07 1.19 0.18 0.77 -0.00 0.00 0.00 178.16 180.23 3dl9 h SER 54 N 0.03 0.90 0.45 3.88 0.02 -1.81 -1.94 113.55 115.08 3dl9 h SER 54 Ca -0.19 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3dl9 h SER 54 Cb 1.95 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.26 3dl9 h SER 54 CO 0.13 0.88 -0.21 0.25 -1.14 0.00 0.00 176.83 176.74 3dl9 h LEU 55 N 0.88 -0.51 -0.57 5.07 5.85 -1.30 -3.36 115.31 121.37 3dl9 h LEU 55 Ca 0.19 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3dl9 h LEU 55 Cb 0.31 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3dl9 h LEU 55 CO -0.00 -0.31 -0.59 0.00 -0.34 0.00 0.00 178.44 177.20 3dl9 n ALA 56 N -2.38 3.81 -1.54 1.25 0.00 -0.58 -3.70 120.51 117.37 3dl9 n ALA 56 Ca -0.07 -0.57 0.02 0.00 0.00 0.00 0.00 53.44 52.81 3dl9 n ALA 56 Cb 0.24 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 18.85 3dl9 n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dl9 n ALA 57 N -0.64 1.88 -3.21 0.00 0.00 -0.74 -4.28 120.51 113.53 3dl9 n ALA 57 Ca 0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 53.44 52.09 3dl9 n ALA 57 Cb 0.40 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.53 3dl9 n ALA 57 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dl9 n SER 58 N -0.31 1.83 0.12 0.00 3.41 -1.17 -4.92 113.62 112.58 3dl9 n SER 58 Ca 0.03 -2.28 -0.00 0.00 -0.26 0.00 0.00 58.87 56.36 3dl9 n SER 58 Cb 0.63 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3dl9 n SER 58 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dl9 h SER 59 N 0.18 0.00 -3.05 4.04 4.64 -1.95 -3.42 113.55 113.99 3dl9 h SER 59 Ca -0.23 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.55 3dl9 h SER 59 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3dl9 h SER 59 CO 0.33 0.63 0.71 -1.61 -0.87 0.00 0.00 176.83 176.03 3dl9 s GLU 60 N -2.89 4.35 0.59 4.77 8.01 -1.26 -5.02 118.70 127.23 3dl9 s GLU 60 Ca 0.03 1.83 -0.17 0.00 0.01 0.00 0.00 54.97 56.67 3dl9 s GLU 60 Cb 0.08 -3.48 -0.04 0.00 -4.31 0.00 0.00 34.13 26.39 3dl9 s GLU 60 CO 0.77 -0.44 1.09 -0.51 0.01 0.00 0.00 175.26 176.18 3dl9 s LEU 61 N 1.87 3.58 0.20 1.80 1.43 -1.26 -4.71 118.68 121.59 3dl9 s LEU 61 Ca 0.60 1.98 -0.19 0.00 -1.03 0.00 0.00 54.13 55.49 3dl9 s LEU 61 Cb -0.29 -4.55 0.17 0.00 0.03 0.00 0.00 46.19 41.54 3dl9 s LEU 61 CO 0.26 -1.27 1.59 -0.65 0.23 0.00 0.00 176.35 176.51 3dl9 h PRO 62 N 0.66 -0.11 -0.03 1.29 0.11 -1.93 -0.73 132.00 131.27 3dl9 h PRO 62 Ca -0.48 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 3dl9 h PRO 62 Cb 1.24 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3dl9 h PRO 62 CO 0.56 -0.07 -0.17 1.12 -0.21 0.00 0.00 178.00 179.23 3dl9 h HIS 63 N -0.11 0.04 0.01 0.65 2.07 -1.92 -0.56 115.15 115.33 3dl9 h HIS 63 Ca 0.27 -0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.79 3dl9 h HIS 63 Cb 0.55 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 30.52 3dl9 h HIS 63 CO -0.65 0.21 -0.00 0.28 -3.07 0.00 0.00 177.93 174.69 3dl9 h VAL 64 N 0.04 1.46 -0.54 6.12 2.07 -1.58 -2.49 116.25 121.33 3dl9 h VAL 64 Ca 0.01 -1.41 0.11 0.00 0.82 0.00 0.00 66.70 66.22 3dl9 h VAL 64 Cb 0.33 2.41 -0.11 0.00 -1.52 0.00 0.00 31.29 32.40 3dl9 h VAL 64 CO 0.02 0.36 -0.22 0.22 0.02 0.00 0.00 177.57 177.97 3dl9 h TYR 65 N -0.61 -0.55 -0.24 1.57 3.20 -0.69 -1.89 116.97 117.75 3dl9 h TYR 65 Ca -0.00 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 3dl9 h TYR 65 Cb 0.60 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3dl9 h TYR 65 CO 0.14 -0.31 -0.01 0.52 -1.64 0.00 0.00 178.16 176.86 3dl9 h MET 66 N -0.09 0.35 -0.09 1.82 2.86 -1.13 -1.59 114.93 117.06 3dl9 h MET 66 Ca 0.25 -0.06 -0.19 0.00 -2.06 0.00 0.00 59.70 57.64 3dl9 h MET 66 Cb 0.48 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3dl9 h MET 66 CO -0.60 0.38 -0.72 -0.09 1.06 0.00 0.00 176.91 176.94 3dl9 h ARG 67 N 0.34 0.45 -0.53 1.72 2.43 -0.90 -1.29 114.38 116.59 3dl9 h ARG 67 Ca 0.08 -0.36 -0.09 0.00 -0.81 0.00 0.00 59.98 58.80 3dl9 h ARG 67 Cb 0.24 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3dl9 h ARG 67 CO 0.01 0.99 -0.02 0.87 -1.51 0.00 0.00 179.97 180.31 3dl9 h LYS 68 N 0.31 0.91 0.00 0.20 1.57 -0.68 -2.43 116.57 116.44 3dl9 h LYS 68 Ca -0.03 -0.27 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3dl9 h LYS 68 Cb 1.30 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3dl9 h LYS 68 CO 0.13 0.91 -0.31 1.96 -0.57 0.00 0.00 179.45 181.57 3dl9 h GLN 69 N 0.83 0.00 0.00 3.15 1.08 -1.19 -2.60 115.11 116.38 3dl9 h GLN 69 Ca 0.15 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 3dl9 h GLN 69 Cb 0.52 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 3dl9 h GLN 69 CO 0.03 0.31 -0.59 0.66 -0.95 0.00 0.00 178.83 178.28 3dl9 h SER 70 N 0.00 0.00 0.79 1.46 4.64 -0.87 -0.41 113.55 119.15 3dl9 h SER 70 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dl9 h SER 70 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3dl9 h SER 70 CO 0.04 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 176.59 3dl9 n GLN 71 N -3.57 0.18 -0.10 4.77 6.02 -0.95 -0.82 117.38 122.92 3dl9 n GLN 71 Ca -0.00 0.37 -0.17 0.00 -0.01 0.00 0.00 57.00 57.19 3dl9 n GLN 71 Cb 0.65 -1.82 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 3dl9 n GLN 71 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3dl9 n VAL 72 N -2.15 1.07 0.86 5.09 0.31 -1.11 -4.74 118.33 117.66 3dl9 n VAL 72 Ca 0.03 -0.34 0.09 0.00 -0.01 0.00 0.00 64.34 64.11 3dl9 n VAL 72 Cb 0.25 -1.48 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 3dl9 n VAL 72 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3dl9 n TYR 73 N -3.49 0.00 0.00 3.52 4.02 -0.18 -5.10 117.16 115.93 3dl9 n TYR 73 Ca -0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.53 3dl9 n TYR 73 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.13 3dl9 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dl9 n GLY 74 N 1.35 -1.70 0.07 2.72 0.00 0.00 -4.78 105.19 102.84 3dl9 n GLY 74 Ca 0.06 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.88 3dl9 n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dl9 h GLU 75 N 0.35 0.05 -4.80 1.61 5.08 -1.86 -3.39 114.58 111.63 3dl9 h GLU 75 Ca 0.00 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.67 3dl9 h GLU 75 Cb 0.00 -0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 3dl9 h GLU 75 CO 0.00 0.49 -0.54 -1.50 -1.00 0.00 0.00 179.01 176.46 3dl9 s ILE 76 N -4.41 4.88 0.25 3.13 2.07 -1.26 -1.05 121.20 124.80 3dl9 s ILE 76 Ca -0.15 -0.24 0.01 0.00 -1.41 0.00 0.00 60.65 58.85 3dl9 s ILE 76 Cb 0.02 -3.45 -0.05 0.00 0.13 0.00 0.00 42.46 39.12 3dl9 s ILE 76 CO 0.68 0.10 0.11 0.72 -1.91 0.00 0.00 174.94 174.65 3dl9 s PHE 77 N 1.67 1.47 0.25 3.50 -0.12 -1.00 -4.72 117.98 119.03 3dl9 s PHE 77 Ca 0.06 -1.25 0.10 0.00 -0.05 0.00 0.00 56.93 55.79 3dl9 s PHE 77 Cb -0.17 -0.83 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 3dl9 s PHE 77 CO 0.08 -0.43 -0.08 -1.54 -0.05 0.00 0.00 175.22 173.20 3dl9 s SER 78 N -3.29 4.20 0.01 1.98 1.04 0.37 0.32 113.70 118.33 3dl9 s SER 78 Ca 0.38 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 56.09 3dl9 s SER 78 Cb 0.07 -0.66 -0.01 0.00 0.10 0.00 0.00 66.02 65.52 3dl9 s SER 78 CO 0.14 0.04 -0.04 -0.76 0.98 0.00 0.00 173.24 173.59 3dl9 s LEU 79 N -3.40 2.11 -0.39 2.42 1.43 0.13 -4.10 118.68 116.88 3dl9 s LEU 79 Ca 0.29 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 3dl9 s LEU 79 Cb -0.07 -0.13 0.03 0.00 0.03 0.00 0.00 46.19 46.06 3dl9 s LEU 79 CO 0.17 -0.08 0.25 -0.62 0.23 0.00 0.00 176.35 176.30 3dl9 s ASP 80 N -0.70 5.86 -0.99 2.29 2.15 -1.26 -2.11 116.67 121.90 3dl9 s ASP 80 Ca -0.04 -1.03 -0.05 0.00 0.43 0.00 0.00 52.55 51.86 3dl9 s ASP 80 Cb -0.05 -2.07 0.25 0.00 -0.30 0.00 0.00 42.92 40.75 3dl9 s ASP 80 CO -0.00 -0.43 0.93 -0.76 -0.17 0.00 0.00 175.17 174.73 3dl9 s LEU 81 N 1.58 5.88 -1.46 -1.34 1.43 -0.98 -0.22 118.68 123.57 3dl9 s LEU 81 Ca 0.03 -3.70 -0.10 0.00 -1.03 0.00 0.00 54.13 49.33 3dl9 s LEU 81 Cb -0.20 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.04 3dl9 s LEU 81 CO 0.07 -0.22 0.87 0.61 0.23 0.00 0.00 176.35 177.92 3dl9 n GLY 82 N 2.45 -0.52 0.34 -3.19 0.00 -0.96 -2.22 105.19 101.09 3dl9 n GLY 82 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3dl9 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl9 n GLY 83 N -1.65 0.40 3.62 -0.02 0.00 -1.26 -4.71 105.19 101.58 3dl9 n GLY 83 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3dl9 n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl9 s ILE 84 N -2.15 5.04 0.03 -0.61 1.01 -0.94 -5.03 121.20 118.54 3dl9 s ILE 84 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 60.65 61.34 3dl9 s ILE 84 Cb 0.00 -3.87 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 3dl9 s ILE 84 CO 0.00 0.07 1.45 -0.94 0.00 0.00 0.00 174.94 175.51 3dl9 s SER 85 N 1.49 6.80 -0.04 3.58 1.04 -1.26 -2.31 113.70 123.01 3dl9 s SER 85 Ca 0.23 2.21 -0.01 0.00 0.48 0.00 0.00 55.95 58.87 3dl9 s SER 85 Cb -0.16 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.43 3dl9 s SER 85 CO 0.09 -0.74 0.04 -0.89 0.98 0.00 0.00 173.24 172.72 3dl9 s THR 86 N 2.26 -0.01 0.05 2.02 2.01 -0.90 -2.41 115.64 118.65 3dl9 s THR 86 Ca 0.66 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 3dl9 s THR 86 Cb -0.34 -0.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 3dl9 s THR 86 CO 0.28 0.16 0.24 0.68 -0.69 0.00 0.00 174.62 175.29 3dl9 s VAL 87 N 1.70 5.34 -0.12 3.82 -7.23 0.38 0.19 120.40 124.48 3dl9 s VAL 87 Ca -0.01 -0.17 0.03 0.00 -1.81 0.00 0.00 61.98 60.02 3dl9 s VAL 87 Cb -0.12 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.22 3dl9 s VAL 87 CO -0.03 0.20 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.06 3dl9 s VAL 88 N -1.46 2.28 -0.16 1.32 1.01 0.15 -1.21 120.40 122.33 3dl9 s VAL 88 Ca 0.33 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 3dl9 s VAL 88 Cb -0.13 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.30 3dl9 s VAL 88 CO 0.23 0.55 0.29 -0.76 0.00 0.00 0.00 175.10 175.40 3dl9 s LEU 89 N 0.53 4.24 0.02 3.92 1.43 0.16 -2.37 118.68 126.62 3dl9 s LEU 89 Ca -0.13 0.50 0.05 0.00 -1.03 0.00 0.00 54.13 53.51 3dl9 s LEU 89 Cb -0.17 -2.36 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3dl9 s LEU 89 CO 0.04 0.11 -0.14 0.20 0.23 0.00 0.00 176.35 176.79 3dl9 s ASN 90 N 0.45 1.66 0.14 2.29 0.01 -0.22 -1.81 114.94 117.46 3dl9 s ASN 90 Ca 0.16 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 51.94 3dl9 s ASN 90 Cb -0.13 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.39 3dl9 s ASN 90 CO 0.04 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 3dl9 n GLY 91 N 2.23 -2.48 0.26 0.66 0.00 -1.26 -4.44 105.19 100.16 3dl9 n GLY 91 Ca -0.16 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 3dl9 n GLY 91 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dl9 h TYR 92 N -0.34 0.96 -0.30 1.61 3.20 -1.84 -3.08 116.97 117.19 3dl9 h TYR 92 Ca -0.04 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 3dl9 h TYR 92 Cb 0.33 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.34 3dl9 h TYR 92 CO 0.01 0.90 0.10 -0.44 -1.64 0.00 0.00 178.16 177.08 3dl9 h ASP 93 N 0.75 0.43 -0.12 -2.11 3.45 -1.99 0.15 116.42 116.98 3dl9 h ASP 93 Ca 0.14 -0.20 -0.23 0.00 0.43 0.00 0.00 57.03 57.18 3dl9 h ASP 93 Cb 0.51 -0.11 0.01 0.00 -0.56 0.00 0.00 39.33 39.18 3dl9 h ASP 93 CO 0.02 0.51 -0.82 0.58 -1.57 0.00 0.00 179.24 177.96 3dl9 h VAL 94 N 0.33 1.28 -0.71 -1.35 2.07 -1.78 -0.25 116.25 115.84 3dl9 h VAL 94 Ca 0.10 -2.02 0.02 0.00 0.82 0.00 0.00 66.70 65.62 3dl9 h VAL 94 Cb 0.23 2.07 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3dl9 h VAL 94 CO -0.00 0.64 0.45 0.58 0.02 0.00 0.00 177.57 179.26 3dl9 h VAL 95 N 0.50 1.13 -0.30 2.57 2.07 -1.42 -2.53 116.25 118.26 3dl9 h VAL 95 Ca -0.07 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3dl9 h VAL 95 Cb 1.46 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3dl9 h VAL 95 CO 0.17 0.16 0.12 0.50 0.02 0.00 0.00 177.57 178.54 3dl9 h LYS 96 N 0.90 0.45 -0.58 1.57 3.64 -0.57 -1.73 116.57 120.24 3dl9 h LYS 96 Ca 0.28 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3dl9 h LYS 96 Cb -0.03 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 3dl9 h LYS 96 CO -0.09 0.47 0.15 1.49 -2.27 0.00 0.00 179.45 179.20 3dl9 h GLU 97 N 0.34 0.29 0.00 1.90 4.57 -0.81 -0.30 114.58 120.57 3dl9 h GLU 97 Ca 0.10 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 3dl9 h GLU 97 Cb 0.19 -0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3dl9 h GLU 97 CO -0.01 0.19 -0.13 0.00 -1.18 0.00 0.00 179.01 177.89 3dl9 h LEU 99 N -1.00 0.61 0.00 0.00 3.38 -1.34 -2.96 115.31 114.00 3dl9 h LEU 99 Ca -0.03 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dl9 h LEU 99 Cb 0.84 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3dl9 h LEU 99 CO -0.02 1.16 -0.56 0.52 0.09 0.00 0.00 178.44 179.62 3dl9 n VAL 100 N -3.87 1.14 0.17 1.22 0.31 -0.16 -3.68 118.33 113.46 3dl9 n VAL 100 Ca -0.05 0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.55 3dl9 n VAL 100 Cb 0.72 -2.19 0.28 0.00 -0.91 0.00 0.00 33.84 31.74 3dl9 n VAL 100 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3dl9 h HIS 101 N -0.79 0.00 -0.49 3.52 3.86 -1.16 -2.56 115.15 117.53 3dl9 h HIS 101 Ca 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.87 3dl9 h HIS 101 Cb 0.56 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 28.80 3dl9 h HIS 101 CO -0.24 0.48 -0.42 1.04 0.86 0.00 0.00 177.93 179.65 3dl9 n GLN 102 N -3.82 2.61 -0.25 2.45 6.02 -0.54 -4.89 117.38 118.97 3dl9 n GLN 102 Ca -0.01 -3.65 0.28 0.00 -0.01 0.00 0.00 57.00 53.61 3dl9 n GLN 102 Cb 0.52 -2.01 0.66 0.00 1.02 0.00 0.00 30.24 30.44 3dl9 n GLN 102 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3dl9 h SER 103 N 1.59 0.14 1.15 1.08 4.64 -1.29 -1.60 113.55 119.26 3dl9 h SER 103 Ca 0.26 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.49 3dl9 h SER 103 Cb 1.37 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 3dl9 h SER 103 CO 0.56 0.04 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.67 3dl9 h GLU 104 N 0.13 0.00 0.20 4.77 4.39 -1.87 -2.56 114.58 119.64 3dl9 h GLU 104 Ca 0.50 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.87 3dl9 h GLU 104 Cb 1.74 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.41 3dl9 h GLU 104 CO -0.08 0.55 -1.56 0.82 -1.16 0.00 0.00 179.01 177.59 3dl9 h ILE 105 N 0.00 1.17 -0.50 3.13 2.04 -1.63 -3.37 117.51 118.35 3dl9 h ILE 105 Ca -0.01 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.16 3dl9 h ILE 105 Cb 1.27 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 40.26 3dl9 h ILE 105 CO 0.07 0.84 0.00 0.49 0.00 0.00 0.00 178.15 179.55 3dl9 n PHE 106 N -3.62 1.05 1.64 1.37 3.01 -1.10 0.45 117.46 120.25 3dl9 n PHE 106 Ca -0.19 -0.43 0.15 0.00 1.01 0.00 0.00 57.45 57.99 3dl9 n PHE 106 Cb 1.08 -0.16 0.68 0.00 -0.01 0.00 0.00 39.48 41.08 3dl9 n PHE 106 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dl9 n ALA 107 N 0.85 2.67 -2.06 4.37 0.00 -0.97 -4.54 120.51 120.84 3dl9 n ALA 107 Ca 0.19 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 3dl9 n ALA 107 Cb 0.65 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.82 3dl9 n ALA 107 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dl9 s ASP 108 N -2.12 5.35 -0.03 0.00 -1.08 -1.02 -4.45 116.67 113.32 3dl9 s ASP 108 Ca 0.39 0.27 0.03 0.00 -0.52 0.00 0.00 52.55 52.71 3dl9 s ASP 108 Cb 0.21 -1.20 -0.03 0.00 -1.46 0.00 0.00 42.92 40.44 3dl9 s ASP 108 CO 0.38 -1.13 -0.09 -0.13 0.52 0.00 0.00 175.17 174.72 3dl9 s ARG 109 N -4.86 2.57 0.36 4.34 1.81 -1.26 0.81 118.95 122.72 3dl9 s ARG 109 Ca 0.55 -0.68 -0.26 0.00 -1.72 0.00 0.00 55.73 53.62 3dl9 s ARG 109 Cb -0.10 -2.49 -0.09 0.00 -0.45 0.00 0.00 34.95 31.82 3dl9 s ARG 109 CO 0.41 0.62 1.07 -1.25 -0.68 0.00 0.00 175.30 175.46 3dl9 s PRO 110 N -1.11 4.34 -1.42 3.54 0.04 -1.26 -4.64 135.00 134.48 3dl9 s PRO 110 Ca 0.14 1.62 -0.08 0.00 0.04 0.00 0.00 61.00 62.72 3dl9 s PRO 110 Cb -0.11 -2.78 0.06 0.00 0.04 0.00 0.00 34.50 31.71 3dl9 s PRO 110 CO 0.04 -0.01 2.48 0.00 0.04 0.00 0.00 177.00 179.55 3dl9 s LEU 112 N -0.82 4.52 0.34 0.00 1.43 -1.26 -4.86 118.68 118.03 3dl9 s LEU 112 Ca 0.56 2.20 0.14 0.00 -1.03 0.00 0.00 54.13 56.01 3dl9 s LEU 112 Cb 0.17 -3.62 1.12 0.00 0.03 0.00 0.00 46.19 43.89 3dl9 s LEU 112 CO -0.07 -0.19 1.62 -0.65 0.23 0.00 0.00 176.35 177.29 3dl9 h PRO 113 N 4.40 0.14 -0.40 1.29 0.11 -1.92 -0.24 132.00 135.38 3dl9 h PRO 113 Ca -0.46 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.70 3dl9 h PRO 113 Cb 1.21 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 3dl9 h PRO 113 CO 0.70 0.09 0.13 1.25 -0.21 0.00 0.00 178.00 179.96 3dl9 h LEU 114 N 0.15 0.12 -0.58 2.35 5.85 -1.92 0.57 115.31 121.84 3dl9 h LEU 114 Ca 0.75 0.05 -0.16 0.00 0.84 0.00 0.00 57.88 59.36 3dl9 h LEU 114 Cb 1.80 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.86 3dl9 h LEU 114 CO -0.71 0.10 -0.66 -0.26 -0.34 0.00 0.00 178.44 176.57 3dl9 h PHE 115 N 0.28 0.31 -0.28 1.25 0.05 -1.46 0.10 116.94 117.19 3dl9 h PHE 115 Ca 0.19 -0.13 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 3dl9 h PHE 115 Cb 0.18 -0.05 -0.01 0.00 2.00 0.00 0.00 35.95 38.07 3dl9 h PHE 115 CO -0.16 0.82 0.04 1.98 -0.18 0.00 0.00 178.31 180.81 3dl9 h MET 116 N 0.17 0.47 -0.49 1.51 4.05 -1.03 -1.50 114.93 118.10 3dl9 h MET 116 Ca -0.01 -0.13 -0.03 0.00 -0.28 0.00 0.00 59.70 59.25 3dl9 h MET 116 Cb 1.18 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 3dl9 h MET 116 CO 0.10 0.59 0.20 -0.22 0.23 0.00 0.00 176.91 177.80 3dl9 h LYS 117 N 0.28 0.74 0.04 0.39 3.64 -0.60 -1.22 116.57 119.85 3dl9 h LYS 117 Ca 0.08 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dl9 h LYS 117 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3dl9 h LYS 117 CO 0.01 0.66 -0.02 0.52 -2.27 0.00 0.00 179.45 178.35 3dl9 h MET 118 N 0.66 -0.05 0.00 1.90 2.86 -0.73 -3.41 114.93 116.15 3dl9 h MET 118 Ca 0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3dl9 h MET 118 Cb 0.20 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3dl9 h MET 118 CO -0.01 0.58 0.00 0.25 1.06 0.00 0.00 176.91 178.79 3dl9 n THR 119 N -4.79 0.18 -2.44 2.22 -2.24 -0.59 -5.01 114.28 101.62 3dl9 n THR 119 Ca -0.09 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.20 3dl9 n THR 119 Cb 0.32 1.24 -0.01 0.00 -2.10 0.00 0.00 70.33 69.78 3dl9 n THR 119 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3dl9 n LYS 120 N -0.09 -1.95 -3.45 -0.78 5.02 -0.46 -0.82 118.16 115.63 3dl9 n LYS 120 Ca 0.00 0.87 -0.25 0.00 -2.02 0.00 0.00 58.31 56.91 3dl9 n LYS 120 Cb 0.24 -5.52 0.00 0.00 -0.02 0.00 0.00 35.03 29.74 3dl9 n LYS 120 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3dl9 n MET 121 N -2.98 -3.70 0.00 1.97 2.81 -1.22 -4.95 117.12 109.05 3dl9 n MET 121 Ca -0.21 0.51 0.00 0.00 -1.81 0.00 0.00 57.70 56.20 3dl9 n MET 121 Cb 0.66 -5.26 0.00 0.00 -0.71 0.00 0.00 33.22 27.91 3dl9 n MET 121 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl9 n GLY 122 N -1.27 3.02 7.00 3.03 0.00 0.00 -2.35 105.19 114.62 3dl9 n GLY 122 Ca -0.01 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.27 3dl9 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dl9 n GLY 123 N 5.00 3.61 1.73 -0.02 0.00 -1.26 -2.43 105.19 111.81 3dl9 n GLY 123 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dl9 n GLY 123 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dl9 n LEU 124 N 0.00 0.04 -0.14 0.99 7.94 -1.26 -4.64 117.00 119.93 3dl9 n LEU 124 Ca 0.00 0.09 -0.05 0.00 -1.11 0.00 0.00 56.01 54.95 3dl9 n LEU 124 Cb 0.00 0.05 0.04 0.00 0.53 0.00 0.00 43.42 44.04 3dl9 n LEU 124 CO 0.00 -0.57 0.96 0.25 -1.11 0.00 0.00 177.39 176.92 3dl9 h LEU 125 N 0.00 0.18 -3.54 -1.96 6.46 -1.93 -2.17 115.31 112.35 3dl9 h LEU 125 Ca 0.00 0.05 -0.16 0.00 -0.12 0.00 0.00 57.88 57.65 3dl9 h LEU 125 Cb 0.00 0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.86 3dl9 h LEU 125 CO 0.00 0.14 0.14 0.59 -0.62 0.00 0.00 178.44 178.69 3dl9 n ASN 126 N -5.00 4.11 -4.75 1.25 3.02 -1.26 -5.00 115.26 107.64 3dl9 n ASN 126 Ca 0.03 -3.28 -0.34 0.00 -0.03 0.00 0.00 54.58 50.96 3dl9 n ASN 126 Cb 0.16 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.72 3dl9 n ASN 126 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3dl9 s SER 127 N -1.58 4.72 0.67 6.41 0.15 -0.82 -4.32 113.70 118.93 3dl9 s SER 127 Ca 0.50 2.19 -0.15 0.00 0.70 0.00 0.00 55.95 59.19 3dl9 s SER 127 Cb 0.41 -2.57 0.01 0.00 -1.71 0.00 0.00 66.02 62.15 3dl9 s SER 127 CO 0.10 -1.90 1.11 -0.13 1.20 0.00 0.00 173.24 173.62 3dl9 s ARG 128 N -3.92 2.72 -0.52 5.44 1.81 -0.99 -4.27 118.95 119.21 3dl9 s ARG 128 Ca 0.71 1.40 -0.28 0.00 -1.72 0.00 0.00 55.73 55.84 3dl9 s ARG 128 Cb -0.25 -1.94 0.01 0.00 -0.45 0.00 0.00 34.95 32.32 3dl9 s ARG 128 CO 0.42 -1.32 1.44 -0.47 -0.68 0.00 0.00 175.30 174.69 3dl9 s TYR 129 N -2.35 2.28 0.00 -0.53 5.04 -1.26 -4.16 117.35 116.37 3dl9 s TYR 129 Ca 0.67 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3dl9 s TYR 129 Cb -0.21 -4.35 0.00 0.00 0.35 0.00 0.00 41.96 37.75 3dl9 s TYR 129 CO 0.43 -2.01 0.00 0.41 -1.34 0.00 0.00 175.55 173.04 3dl9 n GLY 130 N 5.23 1.73 0.05 8.97 0.00 -1.26 -4.98 105.19 114.93 3dl9 n GLY 130 Ca 0.14 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 3dl9 n GLY 130 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3dl9 h ARG 131 N 0.00 -0.00 -0.92 1.61 2.43 -1.99 -2.33 114.38 113.17 3dl9 h ARG 131 Ca 0.00 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.38 3dl9 h ARG 131 Cb 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.38 3dl9 h ARG 131 CO 0.00 0.41 -0.10 0.78 -1.51 0.00 0.00 179.97 179.55 3dl9 h GLY 132 N -0.42 0.91 0.91 2.80 0.00 -1.96 0.44 103.07 105.75 3dl9 h GLY 132 Ca -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 3dl9 h GLY 132 CO 0.00 -0.40 -0.10 -0.25 0.00 0.00 0.00 176.54 175.79 3dl9 h TRP 133 N 0.02 -0.26 -0.74 5.60 7.01 -1.70 -1.42 115.95 124.46 3dl9 h TRP 133 Ca 0.50 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.52 3dl9 h TRP 133 Cb 0.89 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.99 3dl9 h TRP 133 CO -0.59 -0.09 0.46 0.28 -2.79 0.00 0.00 178.44 175.71 3dl9 h VAL 134 N -0.38 1.10 -0.53 2.65 2.07 -0.39 0.57 116.25 121.34 3dl9 h VAL 134 Ca -0.03 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3dl9 h VAL 134 Cb 0.29 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 3dl9 h VAL 134 CO 0.05 0.16 0.23 0.44 0.02 0.00 0.00 177.57 178.47 3dl9 h ASP 135 N 0.90 0.71 -0.02 0.57 3.32 -0.18 -1.90 116.42 119.81 3dl9 h ASP 135 Ca 0.30 -0.15 -0.21 0.00 0.02 0.00 0.00 57.03 56.98 3dl9 h ASP 135 Cb 0.03 -0.18 0.02 0.00 0.22 0.00 0.00 39.33 39.41 3dl9 h ASP 135 CO -0.12 0.67 -0.82 0.45 -1.72 0.00 0.00 179.24 177.70 3dl9 h HIS 136 N 0.71 0.87 -0.48 4.55 3.86 -0.68 -2.70 115.15 121.29 3dl9 h HIS 136 Ca 0.18 -0.46 0.03 0.00 -1.16 0.00 0.00 60.37 58.96 3dl9 h HIS 136 Cb 0.17 -0.11 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 3dl9 h HIS 136 CO 0.00 1.29 0.26 -0.09 0.86 0.00 0.00 177.93 180.24 3dl9 h ARG 137 N 0.22 0.50 -0.36 2.45 9.65 0.12 -1.85 114.38 125.10 3dl9 h ARG 137 Ca -0.10 -0.03 -0.16 0.00 -1.10 0.00 0.00 59.98 58.60 3dl9 h ARG 137 Cb 1.49 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.95 3dl9 h ARG 137 CO 0.16 0.33 -0.39 -0.09 2.80 0.00 0.00 179.97 182.79 3dl9 h ARG 138 N 0.51 0.88 -0.69 0.20 2.43 -1.41 0.10 114.38 116.40 3dl9 h ARG 138 Ca 0.20 -0.46 0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3dl9 h ARG 138 Cb 0.08 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3dl9 h ARG 138 CO -0.12 1.11 0.45 1.25 -1.51 0.00 0.00 179.97 181.15 3dl9 h LEU 139 N 0.72 0.75 0.11 3.80 5.85 -1.34 -1.88 115.31 123.32 3dl9 h LEU 139 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3dl9 h LEU 139 Cb 0.97 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3dl9 h LEU 139 CO 0.09 0.53 -0.05 0.00 -0.34 0.00 0.00 178.44 178.67 3dl9 h ALA 140 N 1.59 -0.15 -0.22 1.25 0.00 -0.95 -1.94 119.26 118.83 3dl9 h ALA 140 Ca 0.26 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dl9 h ALA 140 Cb -0.02 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3dl9 h ALA 140 CO -0.07 -0.25 -0.17 0.28 0.00 0.00 0.00 179.25 179.04 3dl9 h VAL 141 N -0.81 0.53 -0.58 0.00 2.07 -0.93 -1.48 116.25 115.06 3dl9 h VAL 141 Ca -0.02 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.57 3dl9 h VAL 141 Cb 0.56 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.81 3dl9 h VAL 141 CO 0.03 0.00 0.28 0.78 0.02 0.00 0.00 177.57 178.67 3dl9 h ASN 142 N -0.16 0.38 0.46 0.57 2.35 -1.44 -2.80 115.58 114.93 3dl9 h ASN 142 Ca 0.13 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.85 3dl9 h ASN 142 Cb 0.36 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3dl9 h ASN 142 CO -0.32 0.25 -0.33 0.28 -1.65 0.00 0.00 177.43 175.66 3dl9 h SER 143 N 0.52 0.00 0.97 5.81 0.02 -0.73 0.76 113.55 120.90 3dl9 h SER 143 Ca 0.27 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.01 3dl9 h SER 143 Cb 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3dl9 h SER 143 CO -0.20 0.33 -0.99 -0.26 -1.14 0.00 0.00 176.83 174.57 3dl9 h PHE 144 N 0.00 0.02 0.22 3.45 -1.00 -1.05 -1.75 116.94 116.82 3dl9 h PHE 144 Ca -0.00 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.75 3dl9 h PHE 144 Cb 0.65 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.21 3dl9 h PHE 144 CO 0.00 0.99 -0.10 -0.09 -1.61 0.00 0.00 178.31 177.49 3dl9 h ARG 145 N 0.00 -0.28 -0.35 1.51 2.43 -1.28 -2.33 114.38 114.09 3dl9 h ARG 145 Ca -0.01 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3dl9 h ARG 145 Cb 1.74 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.34 3dl9 h ARG 145 CO 0.13 0.10 -0.18 -0.92 -1.51 0.00 0.00 179.97 177.59 3dl9 h TYR 146 N -0.89 0.86 -0.01 2.20 3.20 -0.90 0.34 116.97 121.77 3dl9 h TYR 146 Ca -0.03 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3dl9 h TYR 146 Cb 0.51 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.58 3dl9 h TYR 146 CO 0.06 0.95 -0.49 1.19 -1.64 0.00 0.00 178.16 178.23 3dl9 n PHE 147 N -4.30 0.00 0.00 -3.82 3.01 -0.66 -4.56 117.46 107.13 3dl9 n PHE 147 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3dl9 n PHE 147 Cb 0.41 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3dl9 n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dl9 n GLY 148 N 1.43 1.59 0.08 1.37 0.00 -0.90 -4.71 105.19 104.05 3dl9 n GLY 148 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3dl9 n GLY 148 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dl9 n TYR 149 N 0.00 0.45 0.28 1.61 0.18 -1.07 -1.53 117.16 117.08 3dl9 n TYR 149 Ca 0.00 0.19 0.17 0.00 1.88 0.00 0.00 57.90 60.14 3dl9 n TYR 149 Cb 0.00 -0.80 0.82 0.00 -0.38 0.00 0.00 39.34 38.97 3dl9 n TYR 149 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 3dl9 h GLY 150 N 1.88 0.00 -4.10 -7.48 0.00 -0.55 -3.45 103.07 89.38 3dl9 h GLY 150 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3dl9 h GLY 150 CO 0.00 0.00 -0.01 1.20 0.00 0.00 0.00 176.54 177.73 3dl9 s GLN 151 N -3.94 4.13 0.34 4.80 -0.21 -0.58 -4.99 119.66 119.21 3dl9 s GLN 151 Ca -0.02 0.68 0.06 0.00 0.02 0.00 0.00 55.36 56.10 3dl9 s GLN 151 Cb 0.11 -2.99 0.62 0.00 1.00 0.00 0.00 33.01 31.75 3dl9 s GLN 151 CO 0.53 0.49 1.86 1.57 -2.12 0.00 0.00 175.29 177.62 3dl9 h LYS 152 N 3.76 0.41 -0.01 2.91 5.09 -1.87 -2.73 116.57 124.13 3dl9 h LYS 152 Ca -0.49 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.15 3dl9 h LYS 152 Cb 1.20 -0.05 0.00 0.00 0.10 0.00 0.00 32.23 33.48 3dl9 h LYS 152 CO 0.65 0.52 -0.08 -1.13 -2.09 0.00 0.00 179.45 177.32 3dl9 n SER 153 N -4.24 1.15 -0.10 7.07 3.41 -1.26 -4.46 113.62 115.19 3dl9 n SER 153 Ca 0.00 -1.20 -0.11 0.00 -0.26 0.00 0.00 58.87 57.31 3dl9 n SER 153 Cb 0.29 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3dl9 n SER 153 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3dl9 h PHE 154 N 1.68 0.56 -0.32 7.33 3.57 -1.74 -2.35 116.94 125.67 3dl9 h PHE 154 Ca 0.00 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.45 3dl9 h PHE 154 Cb 0.45 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3dl9 h PHE 154 CO 0.00 0.64 0.21 1.49 -2.23 0.00 0.00 178.31 178.43 3dl9 h GLU 155 N 0.31 0.24 0.00 1.11 4.81 -1.80 -0.79 114.58 118.46 3dl9 h GLU 155 Ca 0.08 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.22 3dl9 h GLU 155 Cb 0.42 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3dl9 h GLU 155 CO 0.01 0.16 -0.37 0.66 -0.73 0.00 0.00 179.01 178.75 3dl9 h SER 156 N 0.25 0.00 -0.04 1.04 4.64 -1.72 -1.47 113.55 116.25 3dl9 h SER 156 Ca 0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 3dl9 h SER 156 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3dl9 h SER 156 CO -0.03 0.37 -0.56 0.11 -0.87 0.00 0.00 176.83 175.85 3dl9 h LYS 157 N 0.00 0.63 -0.65 4.77 1.57 -0.99 0.99 116.57 122.88 3dl9 h LYS 157 Ca -0.00 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3dl9 h LYS 157 Cb 0.68 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3dl9 h LYS 157 CO 0.05 1.02 0.43 0.82 -0.57 0.00 0.00 179.45 181.20 3dl9 h ILE 158 N 0.48 1.17 -0.43 1.86 2.04 -1.00 -2.37 117.51 119.27 3dl9 h ILE 158 Ca 0.01 -0.31 -0.09 0.00 1.00 0.00 0.00 64.86 65.46 3dl9 h ILE 158 Cb 1.12 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3dl9 h ILE 158 CO 0.11 0.16 -0.10 -0.07 0.00 0.00 0.00 178.15 178.26 3dl9 h LEU 159 N 0.89 0.75 -1.15 1.44 4.07 -1.00 -0.46 115.31 119.85 3dl9 h LEU 159 Ca 0.24 -0.22 0.05 0.00 0.08 0.00 0.00 57.88 58.03 3dl9 h LEU 159 Cb -0.10 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 41.39 3dl9 h LEU 159 CO -0.05 0.88 0.58 -0.33 -1.08 0.00 0.00 178.44 178.44 3dl9 h GLU 160 N 0.70 1.03 -0.50 1.13 5.08 -0.63 -1.66 114.58 119.72 3dl9 h GLU 160 Ca 0.12 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3dl9 h GLU 160 Cb 0.56 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3dl9 h GLU 160 CO 0.03 0.68 -0.18 1.49 -1.00 0.00 0.00 179.01 180.04 3dl9 h GLU 161 N 1.06 1.00 -0.08 2.33 4.57 -0.75 -1.66 114.58 121.05 3dl9 h GLU 161 Ca 0.37 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 3dl9 h GLU 161 Cb 0.11 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3dl9 h GLU 161 CO -0.12 1.08 -0.01 1.79 -1.18 0.00 0.00 179.01 180.57 3dl9 h THR 162 N 0.87 1.06 -0.00 0.32 1.35 -0.46 0.79 112.91 116.84 3dl9 h THR 162 Ca 0.12 -0.22 -0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3dl9 h THR 162 Cb 0.75 1.01 -0.00 0.00 -1.73 0.00 0.00 68.15 68.18 3dl9 h THR 162 CO 0.06 0.07 -0.00 0.50 -0.25 0.00 0.00 175.52 175.90 3dl9 h LYS 163 N 0.11 0.01 -0.75 4.72 3.64 -0.48 0.69 116.57 124.50 3dl9 h LYS 163 Ca 0.03 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.49 3dl9 h LYS 163 Cb 0.09 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 3dl9 h LYS 163 CO 0.00 0.51 0.40 0.74 -2.27 0.00 0.00 179.45 178.84 3dl9 h PHE 164 N -0.49 0.72 0.75 1.91 -1.00 -1.03 0.87 116.94 118.68 3dl9 h PHE 164 Ca 0.00 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.77 3dl9 h PHE 164 Cb 0.51 -0.21 0.01 0.00 3.61 0.00 0.00 35.95 39.87 3dl9 h PHE 164 CO 0.10 0.28 -0.36 0.35 -1.61 0.00 0.00 178.31 177.07 3dl9 h PHE 165 N 0.68 -0.93 -0.40 -0.55 3.57 -0.76 -2.17 116.94 116.38 3dl9 h PHE 165 Ca 0.37 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3dl9 h PHE 165 Cb 0.35 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3dl9 h PHE 165 CO -0.09 -0.57 0.07 -0.91 -2.23 0.00 0.00 178.31 174.59 3dl9 h ASN 166 N -1.09 0.56 -0.75 0.41 2.35 -0.73 -2.06 115.58 114.27 3dl9 h ASN 166 Ca -0.10 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3dl9 h ASN 166 Cb 0.79 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3dl9 h ASN 166 CO 0.17 0.58 0.41 0.44 -1.65 0.00 0.00 177.43 177.38 3dl9 h ASP 167 N 0.58 0.93 -0.61 5.81 3.32 -0.79 -0.69 116.42 124.97 3dl9 h ASP 167 Ca 0.13 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3dl9 h ASP 167 Cb 0.26 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 3dl9 h ASP 167 CO 0.00 0.76 0.13 0.00 -1.72 0.00 0.00 179.24 178.41 3dl9 h ALA 168 N 1.21 1.03 -0.55 3.45 0.00 -0.96 -2.52 119.26 120.92 3dl9 h ALA 168 Ca 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3dl9 h ALA 168 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3dl9 h ALA 168 CO -0.04 0.63 0.17 0.82 0.00 0.00 0.00 179.25 180.83 3dl9 h ILE 169 N 0.96 1.23 0.00 0.00 2.04 -0.89 -2.90 117.51 117.96 3dl9 h ILE 169 Ca 0.20 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3dl9 h ILE 169 Cb 0.37 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3dl9 h ILE 169 CO 0.00 0.29 -0.20 -0.08 0.00 0.00 0.00 178.15 178.17 3dl9 h GLU 170 N 0.76 0.00 -0.04 2.37 4.57 -0.78 -2.16 114.58 119.29 3dl9 h GLU 170 Ca 0.18 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3dl9 h GLU 170 Cb 0.27 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3dl9 h GLU 170 CO -0.01 0.20 0.08 1.79 -1.18 0.00 0.00 179.01 179.89 3dl9 h THR 171 N 0.00 0.27 0.00 0.32 1.35 -1.24 0.18 112.91 113.80 3dl9 h THR 171 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3dl9 h THR 171 Cb 0.37 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3dl9 h THR 171 CO 0.03 0.00 0.00 1.88 -0.25 0.00 0.00 175.52 177.18 3dl9 h TYR 172 N 0.00 0.00 -6.15 4.73 -1.99 -1.50 -3.48 116.97 108.58 3dl9 h TYR 172 Ca 0.02 0.00 -0.44 0.00 2.00 0.00 0.00 58.73 60.31 3dl9 h TYR 172 Cb 0.18 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.93 3dl9 h TYR 172 CO 0.00 0.00 -0.79 1.63 -0.00 0.00 0.00 178.16 179.00 3dl9 n LYS 173 N -2.75 -5.44 0.00 4.88 4.76 0.05 -2.37 118.16 117.28 3dl9 n LYS 173 Ca 0.02 0.63 0.00 0.00 -2.87 0.00 0.00 58.31 56.09 3dl9 n LYS 173 Cb 0.32 -5.38 0.00 0.00 -1.84 0.00 0.00 35.03 28.13 3dl9 n LYS 173 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dl9 n GLY 174 N -1.65 2.86 3.75 0.72 0.00 -1.24 -5.01 105.19 104.62 3dl9 n GLY 174 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 3dl9 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dl9 s ARG 175 N -0.07 3.11 0.51 1.61 0.52 -1.00 -4.46 118.95 119.17 3dl9 s ARG 175 Ca 0.00 2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 57.11 3dl9 s ARG 175 Cb 0.00 -2.17 -0.08 0.00 0.52 0.00 0.00 34.95 33.22 3dl9 s ARG 175 CO 0.00 -1.17 1.06 -1.25 0.02 0.00 0.00 175.30 173.97 3dl9 s PRO 176 N -3.00 3.66 0.21 3.54 0.04 -1.26 -4.66 135.00 133.53 3dl9 s PRO 176 Ca 0.73 1.42 -0.23 0.00 0.04 0.00 0.00 61.00 62.96 3dl9 s PRO 176 Cb -0.37 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.16 3dl9 s PRO 176 CO 0.43 -0.56 0.92 -0.59 0.04 0.00 0.00 177.00 177.24 3dl9 s PHE 177 N -1.95 -0.07 -0.27 0.56 -0.12 -0.77 -4.86 117.98 110.51 3dl9 s PHE 177 Ca 0.68 -0.33 -0.15 0.00 -0.05 0.00 0.00 56.93 57.09 3dl9 s PHE 177 Cb -0.18 0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 3dl9 s PHE 177 CO 0.23 -1.00 0.38 0.34 -0.05 0.00 0.00 175.22 175.12 3dl9 s ASP 178 N -3.05 6.26 0.24 1.98 3.68 -1.26 -0.40 116.67 124.11 3dl9 s ASP 178 Ca 0.14 0.30 0.24 0.00 2.13 0.00 0.00 52.55 55.37 3dl9 s ASP 178 Cb -0.03 -2.21 0.93 0.00 -1.45 0.00 0.00 42.92 40.16 3dl9 s ASP 178 CO 0.05 -0.18 1.72 0.49 0.13 0.00 0.00 175.17 177.38 3dl9 n PHE 179 N 5.32 0.81 -0.15 -5.34 0.99 -1.26 -4.24 117.46 113.58 3dl9 n PHE 179 Ca -0.08 0.29 -0.03 0.00 -0.00 0.00 0.00 57.45 57.63 3dl9 n PHE 179 Cb 0.51 -0.97 0.03 0.00 -1.00 0.00 0.00 39.48 38.05 3dl9 n PHE 179 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 3dl9 h LYS 180 N 0.00 0.02 -0.33 -1.08 3.64 -1.93 -0.74 116.57 116.14 3dl9 h LYS 180 Ca 0.00 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dl9 h LYS 180 Cb 0.45 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 3dl9 h LYS 180 CO 0.00 0.01 0.20 0.37 -2.27 0.00 0.00 179.45 177.76 3dl9 h GLN 181 N 0.02 0.45 -0.36 1.90 5.75 -2.00 -0.72 115.11 120.15 3dl9 h GLN 181 Ca 0.23 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.62 3dl9 h GLN 181 Cb 0.35 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.80 3dl9 h GLN 181 CO -0.48 0.35 -0.04 -0.07 -2.65 0.00 0.00 178.83 175.94 3dl9 h LEU 182 N 0.43 0.67 -0.77 -2.39 3.38 -1.70 -0.46 115.31 114.47 3dl9 h LEU 182 Ca 0.12 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3dl9 h LEU 182 Cb 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3dl9 h LEU 182 CO -0.02 0.85 0.39 0.40 0.09 0.00 0.00 178.44 180.15 3dl9 h ILE 183 N 0.48 1.24 -0.03 1.22 2.04 -1.04 0.21 117.51 121.62 3dl9 h ILE 183 Ca 0.10 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3dl9 h ILE 183 Cb 0.53 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 3dl9 h ILE 183 CO 0.03 0.28 0.01 0.74 0.00 0.00 0.00 178.15 179.21 3dl9 h THR 184 N 1.08 1.12 0.17 -0.27 2.02 -0.94 0.09 112.91 116.17 3dl9 h THR 184 Ca 0.27 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 67.11 3dl9 h THR 184 Cb 0.08 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 3dl9 h THR 184 CO -0.04 0.10 -0.40 0.78 0.37 0.00 0.00 175.52 176.33 3dl9 h ASN 185 N -0.09 -1.15 -0.09 4.18 2.35 -0.83 -0.84 115.58 119.12 3dl9 h ASN 185 Ca 0.01 0.12 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 3dl9 h ASN 185 Cb 0.14 0.42 -0.06 0.00 0.05 0.00 0.00 38.32 38.88 3dl9 h ASN 185 CO -0.00 -0.49 -0.28 0.00 -1.65 0.00 0.00 177.43 175.02 3dl9 h ALA 186 N -0.17 -0.32 -0.22 -0.83 0.00 -0.84 -1.45 119.26 115.44 3dl9 h ALA 186 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3dl9 h ALA 186 Cb 0.67 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3dl9 h ALA 186 CO -0.20 -0.76 0.07 0.28 0.00 0.00 0.00 179.25 178.64 3dl9 h VAL 187 N -0.37 1.19 -0.62 0.00 2.07 -0.90 -2.64 116.25 114.98 3dl9 h VAL 187 Ca 0.09 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3dl9 h VAL 187 Cb 0.50 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3dl9 h VAL 187 CO -0.30 0.19 0.39 0.77 0.02 0.00 0.00 177.57 178.63 3dl9 h SER 188 N 0.19 0.73 -0.92 0.57 4.64 -0.99 -2.41 113.55 115.35 3dl9 h SER 188 Ca 0.07 -0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.43 3dl9 h SER 188 Cb 0.22 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 3dl9 h SER 188 CO -0.00 0.55 0.60 0.78 -0.87 0.00 0.00 176.83 177.88 3dl9 h ASN 189 N 0.85 0.92 -0.98 4.97 2.35 -0.89 -0.13 115.58 122.66 3dl9 h ASN 189 Ca 0.23 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.02 3dl9 h ASN 189 Cb -0.06 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.07 3dl9 h ASN 189 CO -0.04 0.58 0.64 0.40 -1.65 0.00 0.00 177.43 177.36 3dl9 h ILE 190 N 1.04 1.16 -0.18 2.81 1.08 -1.33 -1.94 117.51 120.15 3dl9 h ILE 190 Ca 0.40 -0.42 -0.21 0.00 -0.39 0.00 0.00 64.86 64.24 3dl9 h ILE 190 Cb 0.21 -0.18 0.01 0.00 -3.07 0.00 0.00 36.82 33.79 3dl9 h ILE 190 CO -0.15 0.22 -0.72 0.74 -0.69 0.00 0.00 178.15 177.55 3dl9 h THR 191 N 1.23 1.29 -0.43 -0.27 2.02 -1.37 -3.17 112.91 112.20 3dl9 h THR 191 Ca 0.40 -1.93 0.08 0.00 0.77 0.00 0.00 66.41 65.72 3dl9 h THR 191 Cb 0.03 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3dl9 h THR 191 CO -0.13 0.61 0.29 0.78 0.37 0.00 0.00 175.52 177.45 3dl9 h ASN 192 N 0.55 0.21 -0.89 4.18 2.35 -0.58 0.33 115.58 121.73 3dl9 h ASN 192 Ca -0.04 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3dl9 h ASN 192 Cb 1.34 -0.04 -0.06 0.00 0.05 0.00 0.00 38.32 39.61 3dl9 h ASN 192 CO 0.15 0.13 0.57 -0.07 -1.65 0.00 0.00 177.43 176.56 3dl9 h LEU 193 N 0.24 0.93 0.04 1.61 3.38 -1.34 0.11 115.31 120.29 3dl9 h LEU 193 Ca 0.19 -0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.88 3dl9 h LEU 193 Cb 0.46 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3dl9 h LEU 193 CO -0.04 0.63 -1.13 0.40 0.09 0.00 0.00 178.44 178.38 3dl9 h ILE 194 N 1.08 1.29 0.11 1.22 2.04 -1.09 -1.71 117.51 120.46 3dl9 h ILE 194 Ca 0.36 -2.37 -0.22 0.00 1.00 0.00 0.00 64.86 63.63 3dl9 h ILE 194 Cb 0.06 2.53 0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3dl9 h ILE 194 CO -0.13 0.72 -1.09 0.40 0.00 0.00 0.00 178.15 178.05 3dl9 h ILE 195 N 0.33 1.26 -0.01 -0.67 2.04 -1.11 -0.36 117.51 118.99 3dl9 h ILE 195 Ca -0.15 -2.44 0.00 0.00 1.00 0.00 0.00 64.86 63.26 3dl9 h ILE 195 Cb 1.79 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.79 3dl9 h ILE 195 CO 0.22 0.68 -0.15 0.49 0.00 0.00 0.00 178.15 179.39 3dl9 n PHE 196 N -4.06 0.00 -1.13 1.37 3.72 0.36 -2.75 117.46 114.97 3dl9 n PHE 196 Ca -0.20 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.16 3dl9 n PHE 196 Cb 0.84 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.36 3dl9 n PHE 196 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dl9 n GLY 197 N 0.80 0.68 3.52 1.37 0.00 -0.64 -4.96 105.19 105.96 3dl9 n GLY 197 Ca 0.05 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 3dl9 n GLY 197 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dl9 s GLU 198 N -1.79 0.83 0.75 1.61 -1.05 -1.17 -4.90 118.70 112.98 3dl9 s GLU 198 Ca 0.00 -0.06 -0.09 0.00 -0.15 0.00 0.00 54.97 54.68 3dl9 s GLU 198 Cb 0.00 0.39 0.07 0.00 -0.44 0.00 0.00 34.13 34.15 3dl9 s GLU 198 CO 0.00 -0.31 1.08 -0.98 0.95 0.00 0.00 175.26 175.99 3dl9 s ARG 199 N -2.13 2.09 0.01 -4.83 1.70 -1.26 -3.57 118.95 110.95 3dl9 s ARG 199 Ca -0.01 -0.13 0.07 0.00 -0.47 0.00 0.00 55.73 55.19 3dl9 s ARG 199 Cb -0.01 -2.09 -0.02 0.00 -0.57 0.00 0.00 34.95 32.27 3dl9 s ARG 199 CO -0.02 -1.39 -0.22 -0.06 -1.08 0.00 0.00 175.30 172.53 3dl9 s PHE 200 N -3.38 1.93 1.04 5.89 0.40 -1.26 -5.04 117.98 117.56 3dl9 s PHE 200 Ca 0.61 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 56.45 3dl9 s PHE 200 Cb -0.11 -1.20 0.21 0.00 0.51 0.00 0.00 43.02 42.43 3dl9 s PHE 200 CO 0.46 0.02 1.07 0.95 0.70 0.00 0.00 175.22 178.43 3dl9 s THR 201 N -0.63 2.19 -1.62 0.64 -4.23 -1.26 -4.88 115.64 105.85 3dl9 s THR 201 Ca 0.08 0.06 0.26 0.00 -1.18 0.00 0.00 61.69 60.91 3dl9 s THR 201 Cb -0.09 -2.30 0.54 0.00 1.34 0.00 0.00 72.50 72.00 3dl9 s THR 201 CO 0.00 -0.08 1.87 -1.22 -0.54 0.00 0.00 174.62 174.65 3dl9 n TYR 202 N -4.45 0.00 1.12 3.99 0.53 -1.26 -2.55 117.16 114.54 3dl9 n TYR 202 Ca 0.05 0.00 0.12 0.00 -1.02 0.00 0.00 57.90 57.06 3dl9 n TYR 202 Cb 0.55 -0.19 0.28 0.00 -1.03 0.00 0.00 39.34 38.95 3dl9 n TYR 202 CO 0.00 0.00 0.00 0.39 -1.02 0.00 0.00 176.86 176.23 3dl9 n GLU 203 N -1.19 0.48 -1.39 -0.72 4.71 -1.26 -4.67 120.64 116.60 3dl9 n GLU 203 Ca 0.14 -0.30 -0.43 0.00 -0.01 0.00 0.00 57.16 56.57 3dl9 n GLU 203 Cb 0.16 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.06 3dl9 n GLU 203 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 3dl9 n ASP 204 N -1.00 3.04 0.30 1.62 4.64 -1.06 -4.75 116.55 119.34 3dl9 n ASP 204 Ca 0.09 -2.74 0.17 0.00 -1.38 0.00 0.00 54.79 50.93 3dl9 n ASP 204 Cb 0.35 -1.33 0.96 0.00 -1.04 0.00 0.00 41.12 40.06 3dl9 n ASP 204 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 3dl9 h THR 205 N 4.33 0.40 -0.10 5.18 1.35 -1.88 -2.81 112.91 119.37 3dl9 h THR 205 Ca 0.47 -0.07 -0.05 0.00 -0.55 0.00 0.00 66.41 66.21 3dl9 h THR 205 Cb 0.66 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3dl9 h THR 205 CO 1.92 0.01 -0.14 0.44 -0.25 0.00 0.00 175.52 177.51 3dl9 h ASP 206 N 0.00 0.31 -0.66 5.36 3.32 -1.99 -0.36 116.42 122.39 3dl9 h ASP 206 Ca -0.00 -0.52 -0.02 0.00 0.02 0.00 0.00 57.03 56.51 3dl9 h ASP 206 Cb 0.05 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 3dl9 h ASP 206 CO 0.00 0.76 0.32 0.15 -1.72 0.00 0.00 179.24 178.76 3dl9 h PHE 207 N -0.14 0.95 -0.01 4.55 3.57 -1.92 -2.37 116.94 121.57 3dl9 h PHE 207 Ca 0.01 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 3dl9 h PHE 207 Cb 0.69 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3dl9 h PHE 207 CO 0.10 0.71 -0.47 -0.56 -2.23 0.00 0.00 178.31 175.86 3dl9 h GLN 208 N 0.91 0.01 -0.63 1.11 3.07 -1.45 -1.91 115.11 116.22 3dl9 h GLN 208 Ca 0.23 -0.01 -0.05 0.00 0.09 0.00 0.00 58.65 58.91 3dl9 h GLN 208 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.64 3dl9 h GLN 208 CO -0.03 0.48 0.21 1.25 0.09 0.00 0.00 178.83 180.83 3dl9 h HIS 209 N 0.01 1.01 -0.13 0.06 2.76 -0.81 -0.41 115.15 117.64 3dl9 h HIS 209 Ca -0.00 -0.10 0.02 0.00 -2.20 0.00 0.00 60.37 58.09 3dl9 h HIS 209 Cb 0.83 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3dl9 h HIS 209 CO 0.00 0.82 -0.01 1.98 -1.30 0.00 0.00 177.93 179.42 3dl9 h MET 210 N 0.91 0.03 -0.89 5.26 1.85 -0.98 -1.85 114.93 119.27 3dl9 h MET 210 Ca 0.21 -0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.32 3dl9 h MET 210 Cb 0.27 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 32.25 3dl9 h MET 210 CO -0.01 0.02 0.58 0.82 -0.40 0.00 0.00 176.91 177.92 3dl9 h ILE 211 N 0.04 1.16 -0.84 1.77 1.08 -1.10 0.10 117.51 119.71 3dl9 h ILE 211 Ca 0.06 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.15 3dl9 h ILE 211 Cb 0.08 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 33.71 3dl9 h ILE 211 CO -0.11 0.21 0.55 -0.08 -0.69 0.00 0.00 178.15 178.03 3dl9 h GLU 212 N 1.13 1.12 -0.25 2.37 4.81 -0.84 0.18 114.58 123.10 3dl9 h GLU 212 Ca 0.35 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 3dl9 h GLU 212 Cb -0.02 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 3dl9 h GLU 212 CO -0.11 0.75 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.59 3dl9 h LEU 213 N 1.14 0.67 -0.97 1.64 3.38 -0.48 -2.18 115.31 118.52 3dl9 h LEU 213 Ca 0.31 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3dl9 h LEU 213 Cb -0.11 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 3dl9 h LEU 213 CO -0.06 1.01 0.64 0.15 0.09 0.00 0.00 178.44 180.26 3dl9 h PHE 214 N 0.34 1.21 -0.50 1.13 -0.00 -0.50 -2.36 116.94 116.26 3dl9 h PHE 214 Ca 0.04 0.03 -0.07 0.00 -0.00 0.00 0.00 57.97 57.97 3dl9 h PHE 214 Cb 0.82 -0.41 -0.02 0.00 -0.00 0.00 0.00 35.95 36.35 3dl9 h PHE 214 CO 0.08 0.73 0.03 1.03 -0.00 0.00 0.00 178.31 180.18 3dl9 h SER 215 N 1.28 0.85 -0.54 0.41 0.87 -0.59 -2.53 113.55 113.30 3dl9 h SER 215 Ca 0.37 -0.29 0.11 0.00 -1.23 0.00 0.00 61.79 60.75 3dl9 h SER 215 Cb -0.09 -0.23 -0.09 0.00 -0.44 0.00 0.00 62.40 61.55 3dl9 h SER 215 CO -0.10 0.93 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.77 3dl9 h GLU 216 N 0.74 0.09 -0.83 2.24 5.08 -0.93 -2.01 114.58 118.96 3dl9 h GLU 216 Ca 0.15 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3dl9 h GLU 216 Cb 0.48 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.65 3dl9 h GLU 216 CO 0.02 0.06 0.54 -0.91 -1.00 0.00 0.00 179.01 177.72 3dl9 h ASN 217 N 0.09 0.78 0.40 1.42 4.21 -1.02 0.18 115.58 121.64 3dl9 h ASN 217 Ca 0.27 0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.73 3dl9 h ASN 217 Cb 0.43 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 3dl9 h ASN 217 CO -0.48 0.50 -0.29 0.58 -1.29 0.00 0.00 177.43 176.45 3dl9 h VAL 218 N 0.89 1.05 0.14 2.81 2.07 -1.09 -0.81 116.25 121.31 3dl9 h VAL 218 Ca 0.36 -1.05 -0.18 0.00 0.82 0.00 0.00 66.70 66.65 3dl9 h VAL 218 Cb 0.28 1.59 0.02 0.00 -1.52 0.00 0.00 31.29 31.66 3dl9 h VAL 218 CO -0.14 0.29 -0.78 -0.08 0.02 0.00 0.00 177.57 176.88 3dl9 h GLU 219 N 0.00 0.29 -0.42 1.57 4.81 -0.71 -2.37 114.58 117.74 3dl9 h GLU 219 Ca -0.00 -0.49 -0.03 0.00 -0.13 0.00 0.00 59.36 58.70 3dl9 h GLU 219 Cb 0.57 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3dl9 h GLU 219 CO 0.04 1.24 0.12 -0.07 -0.73 0.00 0.00 179.01 179.61 3dl9 h LEU 220 N -0.39 0.57 -1.40 1.64 3.38 -0.58 -2.57 115.31 115.95 3dl9 h LEU 220 Ca -0.14 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3dl9 h LEU 220 Cb 1.62 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3dl9 h LEU 220 CO 0.15 0.55 0.27 0.00 0.09 0.00 0.00 178.44 179.50 3dl9 h ALA 221 N 1.53 1.22 -0.02 1.53 0.00 -1.29 0.22 119.26 122.45 3dl9 h ALA 221 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3dl9 h ALA 221 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dl9 h ALA 221 CO -0.01 -0.22 -0.36 0.00 0.00 0.00 0.00 179.25 178.67 3dl9 n ALA 222 N -1.72 3.30 -1.77 0.00 0.00 -0.97 -4.74 120.51 114.61 3dl9 n ALA 222 Ca -0.01 -0.63 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 3dl9 n ALA 222 Cb 0.30 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 18.97 3dl9 n ALA 222 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3dl9 s SER 223 N -2.38 5.38 0.15 0.00 1.04 0.77 -4.83 113.70 113.82 3dl9 s SER 223 Ca 0.21 1.29 -0.17 0.00 0.48 0.00 0.00 55.95 57.76 3dl9 s SER 223 Cb 0.19 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 64.17 3dl9 s SER 223 CO 0.51 -1.40 1.80 0.00 0.98 0.00 0.00 173.24 175.13 3dl9 h ALA 224 N -0.69 0.45 -0.72 5.32 0.00 -1.87 -2.62 119.26 119.11 3dl9 h ALA 224 Ca -0.45 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.58 3dl9 h ALA 224 Cb 1.24 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3dl9 h ALA 224 CO 0.62 -0.10 0.49 0.77 0.00 0.00 0.00 179.25 181.02 3dl9 h SER 225 N 0.47 0.37 0.17 0.00 0.02 -1.92 0.02 113.55 112.68 3dl9 h SER 225 Ca 0.13 0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 60.86 3dl9 h SER 225 Cb -0.05 -0.06 0.03 0.00 0.14 0.00 0.00 62.40 62.47 3dl9 h SER 225 CO -0.03 0.20 -1.06 0.58 -1.14 0.00 0.00 176.83 175.37 3dl9 h VAL 226 N 0.40 1.41 -0.55 2.27 2.07 -1.73 -0.24 116.25 119.87 3dl9 h VAL 226 Ca 0.35 -2.56 0.10 0.00 0.82 0.00 0.00 66.70 65.41 3dl9 h VAL 226 Cb 0.81 3.09 -0.08 0.00 -1.52 0.00 0.00 31.29 33.59 3dl9 h VAL 226 CO -0.11 0.75 0.09 -0.26 0.02 0.00 0.00 177.57 178.06 3dl9 h PHE 227 N -0.13 0.13 -0.26 1.57 -1.00 -1.14 0.10 116.94 116.20 3dl9 h PHE 227 Ca -0.18 0.04 0.01 0.00 2.81 0.00 0.00 57.97 60.64 3dl9 h PHE 227 Cb 1.83 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 41.40 3dl9 h PHE 227 CO 0.17 -0.05 0.17 1.25 -1.61 0.00 0.00 178.31 178.23 3dl9 h LEU 228 N 0.22 0.28 -0.81 1.54 5.85 -1.00 -1.44 115.31 119.95 3dl9 h LEU 228 Ca 0.29 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3dl9 h LEU 228 Cb 0.42 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3dl9 h LEU 228 CO -0.39 0.20 0.50 0.22 -0.34 0.00 0.00 178.44 178.63 3dl9 h TYR 229 N 0.34 0.92 -0.52 1.25 3.20 -0.64 0.40 116.97 121.92 3dl9 h TYR 229 Ca 0.10 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 3dl9 h TYR 229 Cb -0.03 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3dl9 h TYR 229 CO -0.07 0.47 0.09 -0.91 -1.64 0.00 0.00 178.16 176.10 3dl9 h ASN 230 N 0.91 0.82 -0.77 -2.11 2.35 -0.56 -1.68 115.58 114.54 3dl9 h ASN 230 Ca 0.35 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3dl9 h ASN 230 Cb 0.16 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.28 3dl9 h ASN 230 CO -0.17 0.86 0.44 0.00 -1.65 0.00 0.00 177.43 176.91 3dl9 h ALA 231 N 0.98 0.98 -2.39 -0.83 0.00 -1.02 -3.40 119.26 113.58 3dl9 h ALA 231 Ca 0.16 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.37 3dl9 h ALA 231 Cb 0.39 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 17.48 3dl9 h ALA 231 CO 0.01 0.47 -0.93 1.19 0.00 0.00 0.00 179.25 179.99 3dl9 n PHE 232 N -4.46 -0.16 0.33 0.00 0.99 0.11 -4.95 117.46 109.32 3dl9 n PHE 232 Ca 0.07 -3.50 0.22 0.00 -0.00 0.00 0.00 57.45 54.24 3dl9 n PHE 232 Cb 0.08 0.03 1.15 0.00 -1.00 0.00 0.00 39.48 39.73 3dl9 n PHE 232 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 3dl9 h PRO 233 N 5.29 0.00 -0.00 -1.08 0.11 -1.54 -1.38 132.00 133.40 3dl9 h PRO 233 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 3dl9 h PRO 233 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dl9 h PRO 233 CO 0.44 0.00 -0.07 -2.67 -0.21 0.00 0.00 178.00 175.50 3dl9 n TRP 234 N -3.07 0.00 0.38 0.65 4.27 -1.26 -2.53 117.44 115.87 3dl9 n TRP 234 Ca -0.02 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.71 3dl9 n TRP 234 Cb 0.10 -0.13 0.52 0.00 -1.36 0.00 0.00 31.31 30.45 3dl9 n TRP 234 CO 0.00 0.00 0.00 -0.84 -2.29 0.00 0.00 177.69 174.56 3dl9 h ILE 235 N 0.67 0.00 -1.01 -1.67 3.07 -1.60 -3.16 117.51 113.81 3dl9 h ILE 235 Ca 0.00 -0.26 0.28 0.00 1.55 0.00 0.00 64.86 66.43 3dl9 h ILE 235 Cb 0.30 1.02 -0.06 0.00 -0.27 0.00 0.00 36.82 37.81 3dl9 h ILE 235 CO 0.00 0.00 0.70 1.23 -1.05 0.00 0.00 178.15 179.03 3dl9 h GLY 236 N 2.17 0.37 -0.66 0.16 0.00 -1.71 0.20 103.07 103.59 3dl9 h GLY 236 Ca 0.00 -0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.44 3dl9 h GLY 236 CO 0.00 -0.03 -0.18 -2.22 0.00 0.00 0.00 176.54 174.11 3dl9 h ILE 237 N 0.13 0.17 -3.01 2.60 2.04 -1.83 -3.42 117.51 114.20 3dl9 h ILE 237 Ca 0.51 -0.00 -0.53 0.00 1.00 0.00 0.00 64.86 65.84 3dl9 h ILE 237 Cb 1.76 0.16 0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3dl9 h ILE 237 CO -0.09 0.00 0.74 -0.76 0.00 0.00 0.00 178.15 178.04 3dl9 s LEU 238 N -11.06 4.37 0.00 1.44 1.43 0.69 -4.90 118.68 110.66 3dl9 s LEU 238 Ca -0.15 2.36 0.19 0.00 -1.03 0.00 0.00 54.13 55.51 3dl9 s LEU 238 Cb 0.24 -3.59 0.81 0.00 0.03 0.00 0.00 46.19 43.68 3dl9 s LEU 238 CO 0.76 -0.66 1.60 -0.81 0.23 0.00 0.00 176.35 177.47 3dl9 n PRO 239 N 3.84 0.01 -2.59 1.29 -0.04 -1.26 -4.82 135.00 131.43 3dl9 n PRO 239 Ca 0.11 0.17 -0.36 0.00 -0.04 0.00 0.00 63.50 63.39 3dl9 n PRO 239 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 3dl9 n PRO 239 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dl9 s PHE 240 N -2.99 3.25 0.00 0.54 0.40 -1.26 -4.90 117.98 113.02 3dl9 s PHE 240 Ca 0.09 1.64 0.00 0.00 -0.60 0.00 0.00 56.93 58.06 3dl9 s PHE 240 Cb 0.12 -3.07 0.00 0.00 0.51 0.00 0.00 43.02 40.58 3dl9 s PHE 240 CO 0.34 -0.55 0.00 0.41 0.70 0.00 0.00 175.22 176.12 3dl9 n GLY 241 N 0.15 0.57 0.15 4.36 0.00 -1.26 -4.80 105.19 104.36 3dl9 n GLY 241 Ca 0.06 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3dl9 n GLY 241 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dl9 n LYS 242 N 0.86 0.55 0.16 1.61 5.02 -1.26 -3.87 118.16 121.24 3dl9 n LYS 242 Ca 0.00 -0.30 0.02 0.00 -2.02 0.00 0.00 58.31 56.01 3dl9 n LYS 242 Cb 0.00 -1.49 0.35 0.00 -0.02 0.00 0.00 35.03 33.87 3dl9 n LYS 242 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3dl9 h HIS 243 N 0.73 0.11 0.10 2.13 2.07 -1.87 -2.56 115.15 115.86 3dl9 h HIS 243 Ca 0.00 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.49 3dl9 h HIS 243 Cb 0.48 -0.03 0.00 0.00 2.57 0.00 0.00 27.41 30.43 3dl9 h HIS 243 CO 0.00 0.40 -0.05 1.96 -3.07 0.00 0.00 177.93 177.17 3dl9 h GLN 244 N 0.09 -0.13 -0.92 5.12 1.08 -1.89 -1.64 115.11 116.82 3dl9 h GLN 244 Ca 0.01 0.01 0.06 0.00 -1.45 0.00 0.00 58.65 57.28 3dl9 h GLN 244 Cb 0.59 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.99 3dl9 h GLN 244 CO 0.04 -0.01 0.60 0.37 -0.95 0.00 0.00 178.83 178.88 3dl9 h GLN 245 N -0.23 1.03 -0.44 1.46 4.15 -1.77 -1.58 115.11 117.72 3dl9 h GLN 245 Ca -0.01 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.28 3dl9 h GLN 245 Cb 0.18 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3dl9 h GLN 245 CO 0.02 0.68 0.00 1.25 -1.93 0.00 0.00 178.83 178.85 3dl9 h LEU 246 N 1.06 0.69 0.12 -2.39 6.46 -1.06 -1.99 115.31 118.20 3dl9 h LEU 246 Ca 0.39 -0.16 -0.27 0.00 -0.12 0.00 0.00 57.88 57.72 3dl9 h LEU 246 Cb 0.17 -0.18 0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3dl9 h LEU 246 CO -0.14 0.76 -1.12 -0.26 -0.62 0.00 0.00 178.44 177.06 3dl9 h PHE 247 N 0.68 0.90 0.17 1.25 0.04 -0.73 -1.64 116.94 117.60 3dl9 h PHE 247 Ca 0.14 -0.58 0.01 0.00 2.80 0.00 0.00 57.97 60.34 3dl9 h PHE 247 Cb 0.42 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3dl9 h PHE 247 CO 0.02 1.42 -0.52 0.00 -0.60 0.00 0.00 178.31 178.64 3dl9 h ARG 248 N 0.13 -0.74 -0.63 1.51 3.08 -1.29 -1.60 114.38 114.83 3dl9 h ARG 248 Ca -0.17 0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.06 3dl9 h ARG 248 Cb 1.82 0.17 -0.11 0.00 0.08 0.00 0.00 29.97 31.93 3dl9 h ARG 248 CO 0.21 -0.49 -0.00 -0.91 -1.07 0.00 0.00 179.97 177.71 3dl9 h ASN 249 N -0.77 -0.29 -0.72 7.04 4.21 -1.41 -0.94 115.58 122.70 3dl9 h ASN 249 Ca -0.01 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.67 3dl9 h ASN 249 Cb 0.76 0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 38.20 3dl9 h ASN 249 CO -0.25 -0.12 0.47 0.00 -1.29 0.00 0.00 177.43 176.24 3dl9 h ALA 250 N 1.58 1.53 -0.26 -0.83 0.00 -1.05 0.52 119.26 120.75 3dl9 h ALA 250 Ca 0.33 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3dl9 h ALA 250 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3dl9 h ALA 250 CO -0.54 0.41 -0.05 0.00 0.00 0.00 0.00 179.25 179.06 3dl9 h ALA 251 N 1.57 0.36 0.15 0.00 0.00 -0.21 -0.79 119.26 120.35 3dl9 h ALA 251 Ca 0.27 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dl9 h ALA 251 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3dl9 h ALA 251 CO -0.07 0.16 -0.07 0.28 0.00 0.00 0.00 179.25 179.55 3dl9 h VAL 252 N 0.26 0.86 -0.81 0.00 2.07 -0.62 -1.91 116.25 116.09 3dl9 h VAL 252 Ca 0.07 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3dl9 h VAL 252 Cb 0.52 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3dl9 h VAL 252 CO 0.02 0.01 0.53 0.58 0.02 0.00 0.00 177.57 178.73 3dl9 h VAL 253 N -0.22 1.08 -0.48 2.57 2.07 -0.90 -1.05 116.25 119.32 3dl9 h VAL 253 Ca -0.02 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 3dl9 h VAL 253 Cb 0.17 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.98 3dl9 h VAL 253 CO 0.03 0.17 0.10 0.22 0.02 0.00 0.00 177.57 178.12 3dl9 h TYR 254 N 0.94 0.83 0.13 1.57 3.20 -0.84 -1.50 116.97 121.30 3dl9 h TYR 254 Ca 0.34 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 3dl9 h TYR 254 Cb 0.14 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.18 3dl9 h TYR 254 CO -0.00 0.75 -0.06 0.22 -1.64 0.00 0.00 178.16 177.43 3dl9 h ASP 255 N 0.66 -0.15 -0.35 -2.11 1.82 -0.56 -2.10 116.42 113.63 3dl9 h ASP 255 Ca 0.15 -0.14 0.05 0.00 -0.39 0.00 0.00 57.03 56.70 3dl9 h ASP 255 Cb 0.35 0.04 -0.04 0.00 0.68 0.00 0.00 39.33 40.36 3dl9 h ASP 255 CO 0.00 0.05 0.10 0.15 -1.61 0.00 0.00 179.24 177.93 3dl9 h PHE 256 N -0.34 0.17 -0.68 0.28 3.57 -1.18 -2.05 116.94 116.71 3dl9 h PHE 256 Ca -0.02 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3dl9 h PHE 256 Cb 0.28 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3dl9 h PHE 256 CO -0.02 0.06 0.13 -0.07 -2.23 0.00 0.00 178.31 176.18 3dl9 h LEU 257 N 0.23 1.06 -0.94 0.59 3.38 -1.26 -1.60 115.31 116.77 3dl9 h LEU 257 Ca 0.16 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3dl9 h LEU 257 Cb 0.16 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dl9 h LEU 257 CO -0.19 1.04 -0.18 0.77 0.09 0.00 0.00 178.44 179.98 3dl9 h SER 258 N 1.04 0.57 -0.52 -0.43 4.64 -1.01 0.06 113.55 117.91 3dl9 h SER 258 Ca 0.21 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3dl9 h SER 258 Cb 0.42 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 3dl9 h SER 258 CO 0.01 0.76 0.13 0.03 -0.87 0.00 0.00 176.83 176.89 3dl9 h ARG 259 N 0.52 0.88 -0.13 4.77 3.08 -1.16 -1.65 114.38 120.69 3dl9 h ARG 259 Ca 0.09 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 3dl9 h ARG 259 Cb 0.60 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 3dl9 h ARG 259 CO 0.04 0.80 -0.17 1.25 -1.07 0.00 0.00 179.97 180.82 3dl9 h LEU 260 N 0.85 0.38 -1.06 3.04 5.85 -0.63 -1.11 115.31 122.63 3dl9 h LEU 260 Ca 0.18 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3dl9 h LEU 260 Cb 0.32 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 3dl9 h LEU 260 CO 0.00 0.81 0.63 0.40 -0.34 0.00 0.00 178.44 179.94 3dl9 h ILE 261 N -0.04 1.22 -0.13 4.05 2.04 -0.98 0.16 117.51 123.83 3dl9 h ILE 261 Ca 0.02 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3dl9 h ILE 261 Cb 0.72 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 3dl9 h ILE 261 CO 0.04 0.23 0.03 -0.33 0.00 0.00 0.00 178.15 178.12 3dl9 h GLU 262 N 1.27 0.21 -0.72 2.37 5.08 -1.23 -3.05 114.58 118.51 3dl9 h GLU 262 Ca 0.36 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.73 3dl9 h GLU 262 Cb -0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 3dl9 h GLU 262 CO -0.09 0.37 0.42 0.87 -1.00 0.00 0.00 179.01 179.58 3dl9 h LYS 263 N 0.01 0.76 0.00 2.33 1.57 -0.73 -2.46 116.57 118.05 3dl9 h LYS 263 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dl9 h LYS 263 Cb 0.26 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3dl9 h LYS 263 CO 0.00 0.50 0.00 0.00 -0.57 0.00 0.00 179.45 179.38 3dl9 n ALA 264 N -2.35 2.31 -0.33 3.86 0.00 0.53 -2.51 120.51 122.02 3dl9 n ALA 264 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3dl9 n ALA 264 Cb 0.16 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3dl9 n ALA 264 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dl9 n SER 265 N -0.60 0.92 -0.34 0.00 3.41 -0.94 -4.77 113.62 111.30 3dl9 n SER 265 Ca 0.04 -1.25 0.19 0.00 -0.26 0.00 0.00 58.87 57.60 3dl9 n SER 265 Cb 0.02 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.40 3dl9 n SER 265 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3dl9 h VAL 266 N 0.57 0.54 -0.49 -3.33 2.07 -1.39 -2.09 116.25 112.13 3dl9 h VAL 266 Ca 0.00 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 3dl9 h VAL 266 Cb 0.35 -0.03 -0.11 0.00 -1.52 0.00 0.00 31.29 29.99 3dl9 h VAL 266 CO 0.00 0.09 0.11 0.59 0.02 0.00 0.00 177.57 178.39 3dl9 n ASN 267 N -4.78 3.60 -4.77 0.57 3.02 -1.26 -5.03 115.26 106.61 3dl9 n ASN 267 Ca 0.26 -3.41 -0.41 0.00 -0.03 0.00 0.00 54.58 50.99 3dl9 n ASN 267 Cb 0.79 -0.66 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 3dl9 n ASN 267 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dl9 s ARG 268 N -3.08 4.18 -0.45 3.52 3.52 -0.79 -5.00 118.95 120.86 3dl9 s ARG 268 Ca 0.48 2.47 -0.00 0.00 -0.13 0.00 0.00 55.73 58.55 3dl9 s ARG 268 Cb 0.40 -3.01 0.12 0.00 -1.56 0.00 0.00 34.95 30.91 3dl9 s ARG 268 CO 0.07 -0.46 0.22 0.15 -0.81 0.00 0.00 175.30 174.47 3dl9 s LYS 269 N -1.69 1.99 0.25 5.12 1.02 -1.26 -5.10 119.74 120.07 3dl9 s LYS 269 Ca 0.54 -2.08 -0.29 0.00 0.02 0.00 0.00 55.97 54.16 3dl9 s LYS 269 Cb -0.45 -3.49 -0.15 0.00 -0.52 0.00 0.00 37.83 33.22 3dl9 s LYS 269 CO 0.57 -1.07 0.96 -0.35 -0.92 0.00 0.00 175.35 174.55 3dl9 n PRO 270 N 4.11 1.09 0.00 -1.68 -0.04 -1.26 -0.27 135.00 136.94 3dl9 n PRO 270 Ca 0.02 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 3dl9 n PRO 270 Cb 0.40 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 3dl9 n PRO 270 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dl9 n GLN 271 N 0.97 0.00 -3.80 0.54 -0.00 -1.26 -4.89 117.38 108.94 3dl9 n GLN 271 Ca 0.12 0.00 -0.28 0.00 -0.00 0.00 0.00 57.00 56.84 3dl9 n GLN 271 Cb 0.29 -2.19 -0.11 0.00 -0.00 0.00 0.00 30.24 28.23 3dl9 n GLN 271 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3dl9 n LEU 272 N 0.00 2.89 -4.80 2.61 4.77 0.63 -5.10 117.00 117.99 3dl9 n LEU 272 Ca 0.00 -5.19 -0.37 0.00 -0.03 0.00 0.00 56.01 50.42 3dl9 n LEU 272 Cb 0.00 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.38 3dl9 n LEU 272 CO 0.00 1.81 0.53 -2.16 -1.33 0.00 0.00 177.39 176.24 3dl9 s PRO 273 N -1.52 4.43 0.05 3.23 0.04 -1.26 -4.27 135.00 135.71 3dl9 s PRO 273 Ca 0.28 1.10 0.23 0.00 0.04 0.00 0.00 61.00 62.64 3dl9 s PRO 273 Cb -0.01 -2.88 -0.04 0.00 0.04 0.00 0.00 34.50 31.62 3dl9 s PRO 273 CO -0.15 0.36 0.93 1.04 0.04 0.00 0.00 177.00 179.22 3dl9 n GLN 274 N 0.73 0.38 -2.95 4.56 1.13 -1.26 -4.93 117.38 115.04 3dl9 n GLN 274 Ca -0.01 -0.02 -0.02 0.00 -1.94 0.00 0.00 57.00 55.01 3dl9 n GLN 274 Cb 0.50 -1.61 0.01 0.00 0.11 0.00 0.00 30.24 29.26 3dl9 n GLN 274 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 3dl9 n HIS 275 N -2.08 -1.08 -0.32 1.08 1.44 -1.26 -4.67 115.22 108.33 3dl9 n HIS 275 Ca 0.01 -0.80 -0.03 0.00 -2.01 0.00 0.00 57.72 54.88 3dl9 n HIS 275 Cb 0.47 0.39 0.11 0.00 0.12 0.00 0.00 29.99 31.07 3dl9 n HIS 275 CO 0.00 0.00 0.00 0.35 -2.81 0.00 0.00 176.34 173.88 3dl9 h PHE 276 N 1.61 1.20 0.07 -1.40 3.57 -1.01 -0.42 116.94 120.57 3dl9 h PHE 276 Ca -0.17 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.31 3dl9 h PHE 276 Cb 0.75 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3dl9 h PHE 276 CO 0.00 0.83 -0.09 0.28 -2.23 0.00 0.00 178.31 177.11 3dl9 h VAL 277 N 1.23 0.80 -0.21 1.41 2.07 -1.80 -0.71 116.25 119.04 3dl9 h VAL 277 Ca 0.31 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.88 3dl9 h VAL 277 Cb 0.03 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3dl9 h VAL 277 CO -0.05 0.00 -0.10 0.44 0.02 0.00 0.00 177.57 177.88 3dl9 h ASP 278 N -0.19 -0.34 -0.98 0.57 3.32 -1.80 -0.73 116.42 116.26 3dl9 h ASP 278 Ca 0.01 0.08 0.20 0.00 0.02 0.00 0.00 57.03 57.35 3dl9 h ASP 278 Cb 0.19 0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.84 3dl9 h ASP 278 CO -0.04 -0.13 0.62 0.00 -1.72 0.00 0.00 179.24 177.96 3dl9 h ALA 279 N 1.10 1.89 0.13 3.45 0.00 -0.70 -0.99 119.26 124.14 3dl9 h ALA 279 Ca 0.11 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3dl9 h ALA 279 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3dl9 h ALA 279 CO -0.26 -0.25 -0.06 -0.92 0.00 0.00 0.00 179.25 177.76 3dl9 h TYR 280 N 0.62 -0.17 -0.95 0.00 3.20 -0.12 -2.94 116.97 116.62 3dl9 h TYR 280 Ca 0.55 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.58 3dl9 h TYR 280 Cb 1.05 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 39.30 3dl9 h TYR 280 CO -0.00 0.30 0.60 -0.07 -1.64 0.00 0.00 178.16 177.35 3dl9 h LEU 281 N -0.80 0.71 -0.42 2.82 3.38 -0.69 0.28 115.31 120.58 3dl9 h LEU 281 Ca -0.02 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3dl9 h LEU 281 Cb 0.54 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 3dl9 h LEU 281 CO 0.03 0.33 -0.05 0.44 0.09 0.00 0.00 178.44 179.28 3dl9 h ASP 282 N 0.73 -0.28 -0.46 -0.43 3.32 -1.18 -1.19 116.42 116.93 3dl9 h ASP 282 Ca 0.49 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.62 3dl9 h ASP 282 Cb 0.78 0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3dl9 h ASP 282 CO -0.26 -0.10 0.17 -0.33 -1.72 0.00 0.00 179.24 177.00 3dl9 h GLU 283 N 0.05 0.75 -0.52 3.56 4.39 -0.30 0.19 114.58 122.70 3dl9 h GLU 283 Ca 0.21 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 3dl9 h GLU 283 Cb 0.31 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3dl9 h GLU 283 CO -0.39 0.65 0.16 0.52 -1.16 0.00 0.00 179.01 178.79 3dl9 h MET 284 N 0.74 0.81 -0.38 2.33 2.86 -0.81 -2.41 114.93 118.06 3dl9 h MET 284 Ca 0.17 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3dl9 h MET 284 Cb 0.20 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3dl9 h MET 284 CO -0.01 0.75 0.11 -0.44 1.06 0.00 0.00 176.91 178.37 3dl9 h ASP 285 N 0.71 0.56 0.06 1.22 5.19 -0.26 -1.78 116.42 122.13 3dl9 h ASP 285 Ca 0.17 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3dl9 h ASP 285 Cb 0.28 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3dl9 h ASP 285 CO -0.01 0.63 0.00 0.00 -3.12 0.00 0.00 179.24 176.74 3dl9 n GLN 286 N -4.61 0.32 -0.46 3.56 6.02 0.57 -2.99 117.38 119.78 3dl9 n GLN 286 Ca -0.01 0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.07 3dl9 n GLN 286 Cb 0.19 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.01 3dl9 n GLN 286 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dl9 n GLY 287 N -0.26 2.30 0.27 1.08 0.00 -0.83 -4.81 105.19 102.94 3dl9 n GLY 287 Ca 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.57 3dl9 n GLY 287 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dl9 h LYS 288 N 0.16 0.42 0.00 1.61 1.79 -1.25 -2.66 116.57 116.65 3dl9 h LYS 288 Ca -0.02 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.26 3dl9 h LYS 288 Cb 1.29 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 3dl9 h LYS 288 CO 0.01 0.45 -0.51 -0.91 -1.08 0.00 0.00 179.45 177.41 3dl9 h ASN 289 N 0.41 0.00 -3.57 0.86 2.35 -1.87 -3.42 115.58 110.34 3dl9 h ASN 289 Ca 0.09 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.21 3dl9 h ASN 289 Cb 0.27 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.50 3dl9 h ASN 289 CO 0.01 0.51 0.13 -0.62 -1.65 0.00 0.00 177.43 175.80 3dl9 s ASP 290 N -6.72 6.42 0.00 5.81 -1.08 -1.00 -4.93 116.67 115.17 3dl9 s ASP 290 Ca -0.01 0.15 0.13 0.00 -0.52 0.00 0.00 52.55 52.31 3dl9 s ASP 290 Cb 0.12 -2.32 0.48 0.00 -1.46 0.00 0.00 42.92 39.74 3dl9 s ASP 290 CO 0.73 -0.58 1.35 -0.81 0.52 0.00 0.00 175.17 176.39 3dl9 n PRO 291 N 6.01 1.60 -0.31 4.34 -0.04 -1.26 -2.89 135.00 142.45 3dl9 n PRO 291 Ca -0.01 -0.93 0.07 0.00 -0.04 0.00 0.00 63.50 62.59 3dl9 n PRO 291 Cb 0.49 -1.28 0.22 0.00 -0.04 0.00 0.00 33.50 32.89 3dl9 n PRO 291 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dl9 n SER 292 N 0.21 3.48 -4.67 3.54 3.41 -1.26 -5.00 113.62 113.32 3dl9 n SER 292 Ca 0.12 -2.30 -0.42 0.00 -0.26 0.00 0.00 58.87 56.00 3dl9 n SER 292 Cb 0.25 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.80 3dl9 n SER 292 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3dl9 s SER 293 N -1.21 6.61 0.49 4.04 0.15 -1.14 -4.90 113.70 117.73 3dl9 s SER 293 Ca 0.33 2.40 0.28 0.00 0.70 0.00 0.00 55.95 59.67 3dl9 s SER 293 Cb 0.21 -2.54 0.95 0.00 -1.71 0.00 0.00 66.02 62.93 3dl9 s SER 293 CO 0.16 -0.93 1.83 0.71 1.20 0.00 0.00 173.24 176.21 3dl9 h THR 294 N 5.31 0.14 -3.46 6.45 1.35 -1.94 -3.45 112.91 117.30 3dl9 h THR 294 Ca -0.42 -0.83 -0.52 0.00 -0.55 0.00 0.00 66.41 64.08 3dl9 h THR 294 Cb 1.20 1.73 0.04 0.00 -1.73 0.00 0.00 68.15 69.38 3dl9 h THR 294 CO 0.94 0.06 0.64 -0.36 -0.25 0.00 0.00 175.52 176.56 3dl9 s PHE 295 N -3.51 3.24 0.26 4.73 0.40 -1.26 -4.90 117.98 116.94 3dl9 s PHE 295 Ca 0.03 1.26 -0.18 0.00 -0.60 0.00 0.00 56.93 57.45 3dl9 s PHE 295 Cb 0.08 -3.60 0.01 0.00 0.51 0.00 0.00 43.02 40.02 3dl9 s PHE 295 CO 0.60 -1.83 0.61 -1.54 0.70 0.00 0.00 175.22 173.76 3dl9 s SER 296 N 0.18 -0.20 0.21 1.36 1.04 -1.26 -4.91 113.70 110.12 3dl9 s SER 296 Ca 0.55 -0.72 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 3dl9 s SER 296 Cb -0.37 0.66 0.17 0.00 0.10 0.00 0.00 66.02 66.59 3dl9 s SER 296 CO 0.40 -1.24 1.87 0.50 0.98 0.00 0.00 173.24 175.75 3dl9 h LYS 297 N 2.11 0.94 0.37 4.02 1.63 -1.98 0.24 116.57 123.90 3dl9 h LYS 297 Ca -0.23 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 59.50 3dl9 h LYS 297 Cb 1.25 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.67 3dl9 h LYS 297 CO 0.29 0.62 -0.20 0.93 -3.45 0.00 0.00 179.45 177.64 3dl9 h GLU 298 N 0.97 -0.52 0.00 1.90 3.07 -1.99 -1.95 114.58 116.06 3dl9 h GLU 298 Ca 0.28 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.13 3dl9 h GLU 298 Cb -0.06 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3dl9 h GLU 298 CO -0.08 -0.34 -0.25 -0.91 -1.40 0.00 0.00 179.01 176.03 3dl9 h ASN 299 N -0.54 0.00 -0.12 1.42 2.35 -1.87 -0.88 115.58 115.94 3dl9 h ASN 299 Ca -0.04 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3dl9 h ASN 299 Cb 0.43 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 3dl9 h ASN 299 CO 0.06 0.25 0.06 0.25 -1.65 0.00 0.00 177.43 176.40 3dl9 h LEU 300 N 0.00 0.16 -0.54 1.61 5.85 -0.38 0.21 115.31 122.23 3dl9 h LEU 300 Ca -0.00 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3dl9 h LEU 300 Cb 0.45 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3dl9 h LEU 300 CO 0.03 0.25 0.28 0.40 -0.34 0.00 0.00 178.44 179.06 3dl9 h ILE 301 N 0.06 0.96 -0.15 4.05 2.04 -0.72 -2.04 117.51 121.72 3dl9 h ILE 301 Ca 0.04 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3dl9 h ILE 301 Cb 0.13 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3dl9 h ILE 301 CO -0.00 0.10 -0.14 -0.26 0.00 0.00 0.00 178.15 177.85 3dl9 h PHE 302 N 0.53 0.43 -0.63 1.37 0.04 -1.00 -1.95 116.94 115.72 3dl9 h PHE 302 Ca 0.24 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 3dl9 h PHE 302 Cb 0.14 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 3dl9 h PHE 302 CO -0.10 0.74 0.05 0.66 -0.60 0.00 0.00 178.31 179.06 3dl9 h SER 303 N -0.01 1.04 -0.11 2.17 4.64 -0.94 0.19 113.55 120.53 3dl9 h SER 303 Ca 0.03 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 3dl9 h SER 303 Cb 0.66 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3dl9 h SER 303 CO 0.03 1.06 0.07 0.58 -0.87 0.00 0.00 176.83 177.70 3dl9 h VAL 304 N 0.99 1.04 -0.60 0.95 2.07 -1.35 -0.79 116.25 118.55 3dl9 h VAL 304 Ca 0.19 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3dl9 h VAL 304 Cb 0.49 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3dl9 h VAL 304 CO 0.02 0.03 0.35 1.23 0.02 0.00 0.00 177.57 179.22 3dl9 h GLY 305 N 0.14 0.89 0.76 2.17 0.00 -1.12 -1.06 103.07 104.84 3dl9 h GLY 305 Ca 0.04 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.02 3dl9 h GLY 305 CO -0.01 0.38 0.35 0.83 0.00 0.00 0.00 176.54 178.09 3dl9 h GLU 306 N 0.82 0.65 -0.25 4.80 5.08 -0.77 -1.31 114.58 123.61 3dl9 h GLU 306 Ca 0.21 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.39 3dl9 h GLU 306 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3dl9 h GLU 306 CO -0.04 0.43 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.90 3dl9 h LEU 307 N 0.67 0.66 0.85 1.33 3.38 -0.81 -0.72 115.31 120.67 3dl9 h LEU 307 Ca 0.27 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3dl9 h LEU 307 Cb 0.11 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dl9 h LEU 307 CO -0.15 1.00 -0.41 0.40 0.09 0.00 0.00 178.44 179.38 3dl9 h ILE 308 N 0.50 0.16 -0.06 1.22 2.04 -0.90 -2.43 117.51 118.05 3dl9 h ILE 308 Ca 0.04 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 3dl9 h ILE 308 Cb 0.96 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3dl9 h ILE 308 CO 0.09 0.00 -0.55 -0.29 0.00 0.00 0.00 178.15 177.40 3dl9 h ILE 309 N -1.14 1.37 -0.57 -0.67 6.09 -1.26 -0.77 117.51 120.55 3dl9 h ILE 309 Ca -0.12 -1.85 0.03 0.00 -1.37 0.00 0.00 64.86 61.55 3dl9 h ILE 309 Cb 0.88 1.93 -0.04 0.00 0.47 0.00 0.00 36.82 40.07 3dl9 h ILE 309 CO 0.19 0.54 0.35 0.00 -3.07 0.00 0.00 178.15 176.16 3dl9 h ALA 310 N 1.30 0.74 0.02 0.18 0.00 -1.15 -2.27 119.26 118.08 3dl9 h ALA 310 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dl9 h ALA 310 Cb 1.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3dl9 h ALA 310 CO 0.08 0.08 -0.01 0.78 0.00 0.00 0.00 179.25 180.18 3dl9 h GLY 311 N 0.69 -0.02 0.88 0.00 0.00 -1.23 -3.26 103.07 100.13 3dl9 h GLY 311 Ca 0.23 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 3dl9 h GLY 311 CO -0.10 -0.01 -0.42 -0.84 0.00 0.00 0.00 176.54 175.17 3dl9 h THR 312 N -0.75 0.00 -0.63 4.70 2.02 -1.13 -2.85 112.91 114.26 3dl9 h THR 312 Ca -0.00 -0.12 0.06 0.00 0.77 0.00 0.00 66.41 67.12 3dl9 h THR 312 Cb 0.71 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 3dl9 h THR 312 CO 0.00 0.00 0.34 -0.33 0.37 0.00 0.00 175.52 175.90 3dl9 h GLU 313 N -1.29 0.61 0.21 6.66 4.39 -1.60 -1.62 114.58 121.93 3dl9 h GLU 313 Ca -0.12 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3dl9 h GLU 313 Cb 0.90 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 3dl9 h GLU 313 CO 0.20 0.40 -0.10 1.79 -1.16 0.00 0.00 179.01 180.14 3dl9 h THR 314 N 0.63 0.68 -0.58 1.13 1.35 -1.62 -2.49 112.91 112.02 3dl9 h THR 314 Ca 0.29 -1.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.06 3dl9 h THR 314 Cb 0.19 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 3dl9 h THR 314 CO -0.19 0.17 0.02 0.74 -0.25 0.00 0.00 175.52 176.01 3dl9 h THR 315 N -0.90 1.26 -0.57 6.82 2.02 -1.56 0.42 112.91 120.39 3dl9 h THR 315 Ca -0.03 -1.10 0.09 0.00 0.77 0.00 0.00 66.41 66.14 3dl9 h THR 315 Cb 0.50 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.64 3dl9 h THR 315 CO 0.05 0.40 0.19 0.74 0.37 0.00 0.00 175.52 177.26 3dl9 h THR 316 N 0.91 0.76 -0.07 3.16 2.02 -1.37 -1.75 112.91 116.57 3dl9 h THR 316 Ca 0.17 -0.12 -0.22 0.00 0.77 0.00 0.00 66.41 67.00 3dl9 h THR 316 Cb 0.51 0.37 0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3dl9 h THR 316 CO 0.02 0.07 -0.85 0.78 0.37 0.00 0.00 175.52 175.91 3dl9 h ASN 317 N 0.36 0.75 -0.73 4.18 2.35 -0.87 -0.16 115.58 121.45 3dl9 h ASN 317 Ca 0.29 -0.53 0.13 0.00 -0.55 0.00 0.00 56.30 55.64 3dl9 h ASN 317 Cb 0.36 -0.22 -0.09 0.00 0.05 0.00 0.00 38.32 38.42 3dl9 h ASN 317 CO -0.31 1.32 0.29 0.58 -1.65 0.00 0.00 177.43 177.66 3dl9 h VAL 318 N 0.39 0.68 -0.25 2.81 2.07 -0.74 -0.31 116.25 120.90 3dl9 h VAL 318 Ca -0.07 -0.15 -0.19 0.00 0.82 0.00 0.00 66.70 67.11 3dl9 h VAL 318 Cb 1.48 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3dl9 h VAL 318 CO 0.16 0.08 -0.60 -0.07 0.02 0.00 0.00 177.57 177.16 3dl9 h LEU 319 N 0.44 0.92 -1.03 2.57 3.38 -0.91 -0.97 115.31 119.73 3dl9 h LEU 319 Ca 0.39 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3dl9 h LEU 319 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3dl9 h LEU 319 CO -0.38 1.31 0.25 0.03 0.09 0.00 0.00 178.44 179.73 3dl9 h ARG 320 N 0.61 0.95 -0.05 1.13 3.08 -0.57 0.14 114.38 119.66 3dl9 h ARG 320 Ca -0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3dl9 h ARG 320 Cb 1.20 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 3dl9 h ARG 320 CO 0.13 0.78 -0.01 -1.49 -1.07 0.00 0.00 179.97 178.30 3dl9 h TRP 321 N 0.93 0.11 -0.21 3.04 4.06 -0.99 -2.36 115.95 120.52 3dl9 h TRP 321 Ca 0.22 -0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.20 3dl9 h TRP 321 Cb 0.19 -0.03 -0.07 0.00 -1.00 0.00 0.00 29.16 28.26 3dl9 h TRP 321 CO 0.01 0.45 -0.23 0.00 -3.56 0.00 0.00 178.44 175.11 3dl9 h ALA 322 N 0.65 -0.13 -0.95 1.49 0.00 -0.75 -0.67 119.26 118.90 3dl9 h ALA 322 Ca 0.01 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3dl9 h ALA 322 Cb 0.41 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 3dl9 h ALA 322 CO 0.01 -0.66 0.60 0.82 0.00 0.00 0.00 179.25 180.01 3dl9 h ILE 323 N -0.25 1.01 -0.26 0.00 2.04 -1.03 -1.05 117.51 117.97 3dl9 h ILE 323 Ca 0.13 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3dl9 h ILE 323 Cb 0.44 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 3dl9 h ILE 323 CO -0.36 0.19 0.16 0.25 0.00 0.00 0.00 178.15 178.39 3dl9 h LEU 324 N 1.04 0.32 -0.77 1.44 5.85 -0.70 -1.94 115.31 120.56 3dl9 h LEU 324 Ca 0.43 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.03 3dl9 h LEU 324 Cb 0.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 3dl9 h LEU 324 CO -0.21 0.29 -0.31 -0.26 -0.34 0.00 0.00 178.44 177.61 3dl9 h PHE 325 N 0.33 0.00 -0.17 1.25 0.04 -0.63 -0.82 116.94 116.94 3dl9 h PHE 325 Ca 0.09 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.69 3dl9 h PHE 325 Cb 0.03 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.19 3dl9 h PHE 325 CO -0.04 0.31 -0.56 0.52 -0.60 0.00 0.00 178.31 177.94 3dl9 h MET 326 N 0.00 0.69 -0.29 1.51 2.86 -1.05 -0.47 114.93 118.18 3dl9 h MET 326 Ca -0.00 -0.51 -0.06 0.00 -2.06 0.00 0.00 59.70 57.07 3dl9 h MET 326 Cb 0.94 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.67 3dl9 h MET 326 CO 0.04 1.13 -0.09 0.00 1.06 0.00 0.00 176.91 179.05 3dl9 h ALA 327 N 0.56 1.32 0.08 6.32 0.00 -1.10 -3.10 119.26 123.33 3dl9 h ALA 327 Ca -0.02 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.39 3dl9 h ALA 327 Cb 1.19 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3dl9 h ALA 327 CO 0.12 0.46 -1.12 1.25 0.00 0.00 0.00 179.25 179.96 3dl9 h LEU 328 N 0.44 0.51 -7.11 0.00 5.85 -1.10 -3.39 115.31 110.51 3dl9 h LEU 328 Ca 0.09 -0.48 -0.62 0.00 0.84 0.00 0.00 57.88 57.71 3dl9 h LEU 328 Cb 0.43 -0.16 -0.42 0.00 0.37 0.00 0.00 40.66 40.88 3dl9 h LEU 328 CO 0.02 1.32 -0.60 -0.31 -0.34 0.00 0.00 178.44 178.54 3dl9 s TYR 329 N -2.94 3.41 0.60 1.25 1.51 -0.19 -4.97 117.35 116.02 3dl9 s TYR 329 Ca -0.05 -3.27 0.39 0.00 -1.01 0.00 0.00 57.07 53.13 3dl9 s TYR 329 Cb 0.08 -2.66 2.16 0.00 -0.11 0.00 0.00 41.96 41.42 3dl9 s TYR 329 CO 0.88 -0.59 2.31 -1.00 -1.11 0.00 0.00 175.55 176.04 3dl9 h PRO 330 N 5.61 0.00 -0.06 -1.71 0.13 -1.74 -1.93 132.00 132.31 3dl9 h PRO 330 Ca 0.11 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.09 3dl9 h PRO 330 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3dl9 h PRO 330 CO 0.70 0.01 -0.62 -0.91 -0.23 0.00 0.00 178.00 176.95 3dl9 h ASN 331 N 0.00 0.23 -0.11 1.44 2.35 -1.93 0.18 115.58 117.74 3dl9 h ASN 331 Ca -0.00 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.43 3dl9 h ASN 331 Cb 0.05 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 3dl9 h ASN 331 CO 0.00 0.79 -0.61 0.40 -1.65 0.00 0.00 177.43 176.36 3dl9 h ILE 332 N 0.15 1.30 -0.12 2.81 2.04 -1.72 -2.81 117.51 119.16 3dl9 h ILE 332 Ca -0.01 -1.84 0.02 0.00 1.00 0.00 0.00 64.86 64.04 3dl9 h ILE 332 Cb 1.12 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 3dl9 h ILE 332 CO 0.09 0.58 -0.01 -0.61 0.00 0.00 0.00 178.15 178.21 3dl9 h GLN 333 N 0.53 0.03 -0.89 2.37 4.15 -1.08 -2.28 115.11 117.94 3dl9 h GLN 333 Ca -0.00 -0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.48 3dl9 h GLN 333 Cb 1.20 -0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.81 3dl9 h GLN 333 CO 0.12 0.02 0.55 0.78 -1.93 0.00 0.00 178.83 178.38 3dl9 h GLY 334 N 0.03 1.35 1.71 2.39 0.00 -0.68 -1.16 103.07 106.72 3dl9 h GLY 334 Ca 0.05 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 3dl9 h GLY 334 CO -0.10 0.26 -0.47 1.46 0.00 0.00 0.00 176.54 177.69 3dl9 h GLN 335 N 1.00 0.31 -0.46 4.80 4.20 -1.36 0.19 115.11 123.79 3dl9 h GLN 335 Ca 0.39 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3dl9 h GLN 335 Cb 0.20 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3dl9 h GLN 335 CO -0.18 0.72 0.16 0.28 -0.67 0.00 0.00 178.83 179.13 3dl9 h VAL 336 N 0.25 1.22 -0.23 -0.54 2.07 -0.85 -2.53 116.25 115.64 3dl9 h VAL 336 Ca 0.01 -0.71 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3dl9 h VAL 336 Cb 0.93 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3dl9 h VAL 336 CO 0.08 0.26 -0.25 1.56 0.02 0.00 0.00 177.57 179.23 3dl9 h GLN 337 N 0.61 0.44 -0.58 1.57 4.20 -0.87 -0.68 115.11 119.79 3dl9 h GLN 337 Ca 0.15 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3dl9 h GLN 337 Cb 0.24 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3dl9 h GLN 337 CO -0.01 0.66 0.15 -0.22 -0.67 0.00 0.00 178.83 178.75 3dl9 h LYS 338 N 0.39 0.88 -0.35 1.46 3.64 -0.58 -0.29 116.57 121.72 3dl9 h LYS 338 Ca 0.06 -0.18 -0.17 0.00 -1.27 0.00 0.00 60.65 59.09 3dl9 h LYS 338 Cb 0.65 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3dl9 h LYS 338 CO 0.05 0.78 -0.45 1.49 -2.27 0.00 0.00 179.45 179.05 3dl9 h GLU 339 N 0.85 0.92 0.52 1.90 4.81 -0.92 -2.50 114.58 120.16 3dl9 h GLU 339 Ca 0.19 -0.52 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3dl9 h GLU 339 Cb 0.29 0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.71 3dl9 h GLU 339 CO -0.00 1.17 -0.25 0.82 -0.73 0.00 0.00 179.01 180.02 3dl9 h ILE 340 N 0.73 0.49 -0.80 2.32 2.04 -0.95 -0.64 117.51 120.69 3dl9 h ILE 340 Ca 0.04 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 3dl9 h ILE 340 Cb 1.05 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 37.53 3dl9 h ILE 340 CO 0.11 0.00 0.39 0.44 0.00 0.00 0.00 178.15 179.09 3dl9 h ASP 341 N -0.71 0.47 0.71 1.72 3.32 -1.03 0.24 116.42 121.14 3dl9 h ASP 341 Ca -0.07 0.09 -0.26 0.00 0.02 0.00 0.00 57.03 56.81 3dl9 h ASP 341 Cb 0.54 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 3dl9 h ASP 341 CO 0.12 0.22 -1.40 -0.07 -1.72 0.00 0.00 179.24 176.39 3dl9 h LEU 342 N 0.59 0.02 0.04 1.55 3.38 -1.39 -2.39 115.31 117.11 3dl9 h LEU 342 Ca 0.42 -0.02 -0.38 0.00 0.09 0.00 0.00 57.88 57.99 3dl9 h LEU 342 Cb 0.56 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 3dl9 h LEU 342 CO -0.34 1.02 -2.29 -0.38 0.09 0.00 0.00 178.44 176.54 3dl9 n ILE 343 N -3.19 1.59 -0.02 1.22 2.08 -0.25 -4.55 119.36 116.24 3dl9 n ILE 343 Ca -0.10 -0.57 -0.13 0.00 0.56 0.00 0.00 62.75 62.51 3dl9 n ILE 343 Cb 1.00 -1.57 -0.14 0.00 -0.75 0.00 0.00 39.64 38.18 3dl9 n ILE 343 CO 0.00 0.00 0.00 0.23 0.56 0.00 0.00 176.55 177.34 3dl9 n MET 344 N -3.43 0.68 0.00 0.38 2.81 0.76 -5.07 117.12 113.24 3dl9 n MET 344 Ca -0.42 0.27 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 3dl9 n MET 344 Cb 0.99 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 3dl9 n MET 344 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dl9 n GLY 345 N 1.73 1.80 0.36 3.03 0.00 -0.58 -3.80 105.19 107.73 3dl9 n GLY 345 Ca -0.23 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.32 3dl9 n GLY 345 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dl9 h PRO 346 N 0.00 0.00 0.00 1.61 0.11 -1.79 -2.31 132.00 129.62 3dl9 h PRO 346 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3dl9 h PRO 346 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dl9 h PRO 346 CO 0.00 0.00 -0.03 0.09 -0.21 0.00 0.00 178.00 177.85 3dl9 n ASN 347 N -3.82 1.61 -4.78 -2.05 4.13 -1.26 -4.88 115.26 104.22 3dl9 n ASN 347 Ca 0.05 -2.08 -0.37 0.00 1.68 0.00 0.00 54.58 53.86 3dl9 n ASN 347 Cb 0.47 -0.11 -0.06 0.00 -1.54 0.00 0.00 39.78 38.55 3dl9 n ASN 347 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3dl9 s GLY 348 N -1.25 2.83 -0.10 7.41 0.00 -0.87 -4.97 107.32 110.37 3dl9 s GLY 348 Ca 0.07 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.07 3dl9 s GLY 348 CO 0.01 1.03 2.01 0.54 0.00 0.00 0.00 173.10 176.69 3dl9 s LYS 349 N -2.02 3.69 0.49 2.90 3.01 -1.26 -4.84 119.74 121.71 3dl9 s LYS 349 Ca 0.50 2.24 -0.22 0.00 -1.01 0.00 0.00 55.97 57.48 3dl9 s LYS 349 Cb -0.20 -4.23 -0.09 0.00 -1.01 0.00 0.00 37.83 32.30 3dl9 s LYS 349 CO 0.26 -1.46 0.90 -2.30 0.51 0.00 0.00 175.35 173.26 3dl9 n PRO 350 N 8.03 1.06 -3.96 -1.68 -0.02 -1.26 -5.01 135.00 132.17 3dl9 n PRO 350 Ca 0.24 0.39 -0.10 0.00 -2.02 0.00 0.00 63.50 62.00 3dl9 n PRO 350 Cb 0.43 -2.00 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 3dl9 n PRO 350 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3dl9 s SER 351 N -0.95 0.22 0.37 2.55 0.15 -1.26 -5.03 113.70 109.76 3dl9 s SER 351 Ca 0.67 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 57.03 3dl9 s SER 351 Cb -0.50 0.06 0.75 0.00 -1.71 0.00 0.00 66.02 64.62 3dl9 s SER 351 CO 0.54 -0.20 1.98 -0.25 1.20 0.00 0.00 173.24 176.52 3dl9 h TRP 352 N 5.12 0.72 0.00 3.44 -0.00 -1.95 -1.85 115.95 121.43 3dl9 h TRP 352 Ca -0.30 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.59 3dl9 h TRP 352 Cb 1.21 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 30.13 3dl9 h TRP 352 CO 0.58 0.41 -0.10 -0.44 -0.00 0.00 0.00 178.44 178.89 3dl9 h ASP 353 N 0.73 0.00 0.26 2.65 3.45 -2.01 -2.15 116.42 119.35 3dl9 h ASP 353 Ca 0.27 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.73 3dl9 h ASP 353 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3dl9 h ASP 353 CO -0.08 0.10 0.00 0.47 -1.57 0.00 0.00 179.24 178.16 3dl9 n ASP 354 N -3.85 0.00 0.17 6.45 8.00 -0.69 -4.19 116.55 122.44 3dl9 n ASP 354 Ca -0.02 0.43 -0.14 0.00 0.71 0.00 0.00 54.79 55.76 3dl9 n ASP 354 Cb 0.19 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.77 3dl9 n ASP 354 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3dl9 h LYS 355 N 0.00 -0.54 0.00 -1.24 3.64 -1.55 -2.48 116.57 114.40 3dl9 h LYS 355 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3dl9 h LYS 355 Cb 0.13 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3dl9 h LYS 355 CO 0.00 -0.36 0.00 0.00 -2.27 0.00 0.00 179.45 176.82 3dl9 n LYS 357 N -1.28 1.46 -3.34 0.00 5.02 -0.96 -4.51 118.16 114.55 3dl9 n LYS 357 Ca 0.14 -0.78 -0.26 0.00 -2.02 0.00 0.00 58.31 55.39 3dl9 n LYS 357 Cb 0.22 -1.48 -0.08 0.00 -0.02 0.00 0.00 35.03 33.67 3dl9 n LYS 357 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3dl9 n MET 358 N -0.09 1.49 0.09 1.97 2.81 -0.17 -4.96 117.12 118.26 3dl9 n MET 358 Ca 0.18 -3.90 -0.04 0.00 -1.81 0.00 0.00 57.70 52.13 3dl9 n MET 358 Cb 0.33 -1.74 0.14 0.00 -0.71 0.00 0.00 33.22 31.24 3dl9 n MET 358 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3dl9 h PRO 359 N 4.28 0.23 -0.64 0.03 0.13 -1.79 -2.65 132.00 131.59 3dl9 h PRO 359 Ca 0.14 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 3dl9 h PRO 359 Cb 0.78 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.91 3dl9 h PRO 359 CO 0.63 0.74 0.05 -0.92 -0.23 0.00 0.00 178.00 178.26 3dl9 h TYR 360 N 0.18 1.19 -0.39 1.56 3.20 -1.93 -0.49 116.97 120.28 3dl9 h TYR 360 Ca -0.00 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 3dl9 h TYR 360 Cb 1.05 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3dl9 h TYR 360 CO 0.02 1.02 0.03 1.15 -1.64 0.00 0.00 178.16 178.74 3dl9 h THR 361 N 1.01 1.25 -0.71 1.81 2.02 -1.91 0.58 112.91 116.97 3dl9 h THR 361 Ca 0.19 -0.93 0.08 0.00 0.77 0.00 0.00 66.41 66.52 3dl9 h THR 361 Cb 0.51 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3dl9 h THR 361 CO 0.02 0.32 0.37 -0.33 0.37 0.00 0.00 175.52 176.27 3dl9 h GLU 362 N 0.50 0.63 -0.35 6.66 5.08 -1.35 -1.87 114.58 123.89 3dl9 h GLU 362 Ca 0.11 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3dl9 h GLU 362 Cb 0.42 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3dl9 h GLU 362 CO 0.01 0.42 -0.04 0.00 -1.00 0.00 0.00 179.01 178.40 3dl9 h ALA 363 N 1.40 0.47 -0.14 3.43 0.00 -0.41 -0.25 119.26 123.77 3dl9 h ALA 363 Ca 0.34 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3dl9 h ALA 363 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dl9 h ALA 363 CO -0.24 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.56 3dl9 h VAL 364 N 0.44 0.89 -0.68 0.00 2.07 -0.80 -0.92 116.25 117.24 3dl9 h VAL 364 Ca 0.09 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3dl9 h VAL 364 Cb 0.52 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3dl9 h VAL 364 CO 0.03 0.01 0.34 -0.07 0.02 0.00 0.00 177.57 177.89 3dl9 h LEU 365 N 0.03 0.87 -1.06 2.57 3.38 -1.12 -1.43 115.31 118.55 3dl9 h LEU 365 Ca 0.07 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 3dl9 h LEU 365 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dl9 h LEU 365 CO -0.12 0.73 -0.43 0.45 0.09 0.00 0.00 178.44 179.15 3dl9 h HIS 366 N 0.96 0.09 -0.05 1.13 3.86 -0.80 -2.75 115.15 117.59 3dl9 h HIS 366 Ca 0.24 -0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.22 3dl9 h HIS 366 Cb 0.08 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 3dl9 h HIS 366 CO 0.01 0.50 -0.82 1.49 0.86 0.00 0.00 177.93 179.97 3dl9 h GLU 367 N 0.07 0.43 -0.54 2.45 4.57 -0.40 -1.62 114.58 119.54 3dl9 h GLU 367 Ca 0.00 -0.39 -0.02 0.00 -1.18 0.00 0.00 59.36 57.77 3dl9 h GLU 367 Cb 0.79 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 3dl9 h GLU 367 CO 0.06 1.04 0.27 0.28 -1.18 0.00 0.00 179.01 179.48 3dl9 h VAL 368 N 0.27 1.20 -0.45 0.32 2.07 -1.21 0.50 116.25 118.95 3dl9 h VAL 368 Ca -0.05 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3dl9 h VAL 368 Cb 1.42 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3dl9 h VAL 368 CO 0.14 0.22 0.29 -0.07 0.02 0.00 0.00 177.57 178.18 3dl9 h LEU 369 N 0.72 0.52 -0.36 2.57 3.38 -1.35 0.03 115.31 120.82 3dl9 h LEU 369 Ca 0.19 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 3dl9 h LEU 369 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dl9 h LEU 369 CO -0.02 0.39 -0.21 -0.09 0.09 0.00 0.00 178.44 178.59 3dl9 h ARG 370 N 0.61 0.79 0.00 1.13 2.43 -1.05 -2.94 114.38 115.34 3dl9 h ARG 370 Ca 0.16 -0.36 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 3dl9 h ARG 370 Cb -0.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 3dl9 h ARG 370 CO -0.03 0.99 -0.23 0.35 -1.51 0.00 0.00 179.97 179.53 3dl9 h PHE 371 N 0.58 0.00 0.00 2.20 3.57 -0.86 -3.38 116.94 119.05 3dl9 h PHE 371 Ca 0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 3dl9 h PHE 371 Cb 0.77 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3dl9 h PHE 371 CO 0.06 1.04 -0.15 0.00 -2.23 0.00 0.00 178.31 177.03 3dl9 n ASN 373 N -2.86 -4.71 -0.31 0.00 3.02 -1.11 -4.80 115.26 104.49 3dl9 n ASN 373 Ca 0.04 -1.08 0.17 0.00 -0.03 0.00 0.00 54.58 53.68 3dl9 n ASN 373 Cb 0.51 -3.01 0.42 0.00 -0.61 0.00 0.00 39.78 37.09 3dl9 n ASN 373 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dl9 h ILE 374 N -2.05 0.66 -3.34 2.41 5.03 -1.82 -2.66 117.51 115.74 3dl9 h ILE 374 Ca -0.67 -0.20 -0.66 0.00 -0.12 0.00 0.00 64.86 63.21 3dl9 h ILE 374 Cb 1.37 0.03 -0.39 0.00 -3.03 0.00 0.00 36.82 34.80 3dl9 h ILE 374 CO 0.50 0.11 -0.47 -0.69 -0.68 0.00 0.00 178.15 176.92 3dl9 s VAL 375 N -5.65 3.21 -0.01 1.67 1.01 -1.26 -0.01 120.40 119.36 3dl9 s VAL 375 Ca -0.10 -3.58 0.18 0.00 0.00 0.00 0.00 61.98 58.49 3dl9 s VAL 375 Cb 0.24 -3.12 0.13 0.00 0.00 0.00 0.00 36.38 33.63 3dl9 s VAL 375 CO 0.80 -0.92 1.61 1.55 0.00 0.00 0.00 175.10 178.14 3dl9 h PRO 376 N 6.26 0.00 0.00 2.72 0.13 -1.67 -3.21 132.00 136.22 3dl9 h PRO 376 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3dl9 h PRO 376 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3dl9 h PRO 376 CO 0.73 0.40 -0.03 1.28 -0.23 0.00 0.00 178.00 180.15 3dl9 n LEU 377 N -3.34 2.08 0.00 1.56 4.77 -1.26 -1.37 117.00 119.43 3dl9 n LEU 377 Ca 0.01 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 3dl9 n LEU 377 Cb 0.60 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3dl9 n LEU 377 CO 0.38 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3dl9 n GLY 378 N -1.08 0.91 3.46 -0.72 0.00 -1.21 -3.95 105.19 102.59 3dl9 n GLY 378 Ca 0.11 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 3dl9 n GLY 378 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dl9 s ILE 379 N 0.00 3.57 0.26 -0.61 1.01 -1.26 -5.03 121.20 119.14 3dl9 s ILE 379 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.87 3dl9 s ILE 379 Cb 0.00 -2.53 -0.14 0.00 0.01 0.00 0.00 42.46 39.80 3dl9 s ILE 379 CO 0.00 0.52 1.30 0.49 0.00 0.00 0.00 174.94 177.24 3dl9 n PHE 380 N 3.39 1.95 -3.24 3.97 0.99 -1.26 -4.82 117.46 118.45 3dl9 n PHE 380 Ca -0.18 0.53 -0.18 0.00 -0.00 0.00 0.00 57.45 57.62 3dl9 n PHE 380 Cb 0.53 -2.40 -0.01 0.00 -1.00 0.00 0.00 39.48 36.60 3dl9 n PHE 380 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 3dl9 s HIS 381 N -0.42 2.79 0.04 1.38 3.76 0.39 -4.52 115.29 118.71 3dl9 s HIS 381 Ca 0.65 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 55.14 3dl9 s HIS 381 Cb -0.67 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 30.72 3dl9 s HIS 381 CO 0.54 -0.29 -0.04 0.00 -0.85 0.00 0.00 174.74 174.10 3dl9 s ALA 382 N -2.38 0.34 -0.05 -1.40 0.00 0.24 -0.31 121.76 118.20 3dl9 s ALA 382 Ca 0.52 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 3dl9 s ALA 382 Cb -0.08 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3dl9 s ALA 382 CO 0.31 -0.19 1.12 0.95 0.00 0.00 0.00 175.76 177.94 3dl9 s THR 383 N -2.19 4.46 -0.73 0.00 -4.23 -0.96 -2.45 115.64 109.54 3dl9 s THR 383 Ca -0.08 1.76 0.26 0.00 -1.18 0.00 0.00 61.69 62.45 3dl9 s THR 383 Cb -0.05 -4.13 0.19 0.00 1.34 0.00 0.00 72.50 69.86 3dl9 s THR 383 CO -0.03 0.03 1.62 -1.54 -0.54 0.00 0.00 174.62 174.16 3dl9 n SER 384 N 4.84 0.71 -3.92 3.99 3.41 0.17 0.43 113.62 123.24 3dl9 n SER 384 Ca 0.09 0.39 -0.12 0.00 -0.26 0.00 0.00 58.87 58.98 3dl9 n SER 384 Cb 0.48 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 3dl9 n SER 384 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dl9 s GLU 385 N -3.11 1.48 0.89 4.33 0.41 -1.26 -4.80 118.70 116.64 3dl9 s GLU 385 Ca 0.09 -1.54 -0.14 0.00 -0.41 0.00 0.00 54.97 52.98 3dl9 s GLU 385 Cb 0.13 0.37 -0.01 0.00 -1.78 0.00 0.00 34.13 32.85 3dl9 s GLU 385 CO 0.64 -0.56 0.28 -0.25 -0.49 0.00 0.00 175.26 174.87 3dl9 n ASP 386 N -0.58 -2.38 -3.50 -0.19 9.92 -1.26 -3.53 116.55 115.03 3dl9 n ASP 386 Ca 0.01 0.38 -0.14 0.00 -0.53 0.00 0.00 54.79 54.51 3dl9 n ASP 386 Cb 0.64 -1.15 -0.04 0.00 -0.64 0.00 0.00 41.12 39.92 3dl9 n ASP 386 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dl9 s ALA 387 N -2.22 -1.55 -0.11 2.24 0.00 -0.30 -4.79 121.76 115.02 3dl9 s ALA 387 Ca 0.57 0.75 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3dl9 s ALA 387 Cb -0.25 0.47 0.01 0.00 0.00 0.00 0.00 23.12 23.36 3dl9 s ALA 387 CO 0.67 -0.57 -0.17 0.08 0.00 0.00 0.00 175.76 175.77 3dl9 s VAL 388 N -2.61 1.65 -0.05 0.00 1.01 -1.26 -0.05 120.40 119.08 3dl9 s VAL 388 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3dl9 s VAL 388 Cb -0.01 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.92 3dl9 s VAL 388 CO -0.03 0.47 -0.03 -0.69 0.00 0.00 0.00 175.10 174.82 3dl9 s VAL 389 N 0.89 0.48 -1.52 2.92 1.01 -0.54 -4.86 120.40 118.78 3dl9 s VAL 389 Ca -0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 3dl9 s VAL 389 Cb -0.15 -0.54 0.06 0.00 0.00 0.00 0.00 36.38 35.74 3dl9 s VAL 389 CO -0.01 0.23 0.55 0.54 0.00 0.00 0.00 175.10 176.41 3dl9 n ARG 390 N 4.34 -3.27 -2.27 2.72 5.12 -1.26 -1.24 116.66 120.80 3dl9 n ARG 390 Ca -0.20 0.39 -0.19 0.00 -1.93 0.00 0.00 57.85 55.92 3dl9 n ARG 390 Cb 0.51 -4.73 -0.02 0.00 -1.16 0.00 0.00 32.46 27.06 3dl9 n ARG 390 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dl9 n GLY 391 N -1.80 -0.16 3.38 -0.13 0.00 -1.26 -5.01 105.19 100.21 3dl9 n GLY 391 Ca -0.17 -0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3dl9 n GLY 391 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dl9 s TYR 392 N -2.90 2.08 -0.14 1.61 1.51 -0.37 -4.92 117.35 114.21 3dl9 s TYR 392 Ca 0.00 -0.41 -0.07 0.00 -1.01 0.00 0.00 57.07 55.58 3dl9 s TYR 392 Cb 0.00 -1.03 -0.04 0.00 -0.11 0.00 0.00 41.96 40.78 3dl9 s TYR 392 CO 0.00 0.43 0.12 0.45 -1.11 0.00 0.00 175.55 175.43 3dl9 s SER 393 N -2.68 6.17 -0.37 2.29 0.15 -1.26 -1.47 113.70 116.54 3dl9 s SER 393 Ca 0.18 0.36 0.01 0.00 0.70 0.00 0.00 55.95 57.21 3dl9 s SER 393 Cb -0.07 -2.00 0.11 0.00 -1.71 0.00 0.00 66.02 62.35 3dl9 s SER 393 CO 0.08 0.34 0.15 -0.63 1.20 0.00 0.00 173.24 174.39 3dl9 s ILE 394 N -0.64 1.30 0.69 6.45 1.01 0.93 -3.82 121.20 127.11 3dl9 s ILE 394 Ca 0.13 -2.01 -0.17 0.00 0.00 0.00 0.00 60.65 58.60 3dl9 s ILE 394 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.42 3dl9 s ILE 394 CO 0.02 -0.75 1.21 -2.65 0.00 0.00 0.00 174.94 172.77 3dl9 n PRO 395 N 4.24 0.81 -1.44 2.79 -0.02 -1.26 -1.15 135.00 138.96 3dl9 n PRO 395 Ca 0.03 0.34 -0.45 0.00 -2.02 0.00 0.00 63.50 61.40 3dl9 n PRO 395 Cb 0.39 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 3dl9 n PRO 395 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3dl9 n LYS 396 N -2.14 0.44 -0.31 -0.52 4.81 -1.23 -2.42 118.16 116.79 3dl9 n LYS 396 Ca 0.15 0.16 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 3dl9 n LYS 396 Cb 0.49 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.22 3dl9 n LYS 396 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dl9 n GLY 397 N 1.82 1.88 3.77 3.14 0.00 0.17 -4.90 105.19 111.07 3dl9 n GLY 397 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3dl9 n GLY 397 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dl9 s THR 398 N -3.14 2.61 -0.00 2.61 2.01 -1.02 -4.72 115.64 114.00 3dl9 s THR 398 Ca 0.00 0.60 -0.30 0.00 0.31 0.00 0.00 61.69 62.30 3dl9 s THR 398 Cb 0.00 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 3dl9 s THR 398 CO 0.00 0.13 1.28 -0.89 -0.69 0.00 0.00 174.62 174.45 3dl9 s THR 399 N -1.17 3.96 -0.17 -0.82 2.01 -1.01 -2.26 115.64 116.17 3dl9 s THR 399 Ca 0.52 1.34 -0.02 0.00 0.31 0.00 0.00 61.69 63.84 3dl9 s THR 399 Cb -0.40 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.24 3dl9 s THR 399 CO 0.53 0.03 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 3dl9 s VAL 400 N 1.98 3.05 -0.23 3.82 1.01 0.57 -0.47 120.40 130.12 3dl9 s VAL 400 Ca 0.60 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.89 3dl9 s VAL 400 Cb -0.29 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3dl9 s VAL 400 CO 0.25 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 175.23 3dl9 s ILE 401 N 0.96 3.96 -0.50 2.22 1.01 -0.35 -0.46 121.20 128.04 3dl9 s ILE 401 Ca -0.02 -0.29 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 3dl9 s ILE 401 Cb -0.15 -2.83 0.06 0.00 0.01 0.00 0.00 42.46 39.55 3dl9 s ILE 401 CO -0.01 0.38 0.59 0.42 0.00 0.00 0.00 174.94 176.32 3dl9 s THR 402 N 1.51 4.92 -1.17 2.92 -4.23 -1.25 -0.66 115.64 117.68 3dl9 s THR 402 Ca 0.06 -0.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.82 3dl9 s THR 402 Cb -0.15 -4.27 0.02 0.00 1.34 0.00 0.00 72.50 69.45 3dl9 s THR 402 CO 0.01 -0.76 1.74 0.21 -0.54 0.00 0.00 174.62 175.28 3dl9 s ASN 403 N 2.63 6.19 0.34 3.99 3.84 -0.75 -3.64 114.94 127.54 3dl9 s ASN 403 Ca 0.14 -1.87 0.02 0.00 0.21 0.00 0.00 52.86 51.36 3dl9 s ASN 403 Cb -0.20 -2.58 0.59 0.00 -0.55 0.00 0.00 41.25 38.52 3dl9 s ASN 403 CO 0.12 -1.83 1.94 -0.07 -2.79 0.00 0.00 177.10 174.47 3dl9 h LEU 404 N 14.30 0.66 -0.92 3.21 3.38 -1.63 -2.59 115.31 131.72 3dl9 h LEU 404 Ca 0.31 -0.07 0.14 0.00 0.09 0.00 0.00 57.88 58.35 3dl9 h LEU 404 Cb 0.93 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.42 3dl9 h LEU 404 CO 1.38 0.58 0.53 0.22 0.09 0.00 0.00 178.44 181.23 3dl9 h TYR 405 N 0.73 0.94 0.00 1.13 3.20 -1.51 -1.85 116.97 119.61 3dl9 h TYR 405 Ca 0.18 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3dl9 h TYR 405 Cb 0.10 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3dl9 h TYR 405 CO 0.01 0.28 -0.39 0.66 -1.64 0.00 0.00 178.16 177.08 3dl9 h SER 406 N 0.77 0.00 -0.44 -2.11 4.64 -1.75 -1.31 113.55 113.35 3dl9 h SER 406 Ca 0.49 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.66 3dl9 h SER 406 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3dl9 h SER 406 CO -0.33 0.39 -0.30 0.58 -0.87 0.00 0.00 176.83 176.30 3dl9 h VAL 407 N 0.00 1.27 0.00 0.95 2.07 -1.30 0.14 116.25 119.38 3dl9 h VAL 407 Ca -0.00 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 66.04 3dl9 h VAL 407 Cb 0.99 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3dl9 h VAL 407 CO 0.05 0.50 0.00 1.41 0.02 0.00 0.00 177.57 179.55 3dl9 n HIS 408 N -4.08 0.69 -0.60 1.57 -0.00 -0.82 -2.52 115.22 109.46 3dl9 n HIS 408 Ca -0.01 0.21 0.07 0.00 -0.00 0.00 0.00 57.72 57.99 3dl9 n HIS 408 Cb 0.51 -0.84 0.18 0.00 -0.00 0.00 0.00 29.99 29.83 3dl9 n HIS 408 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 3dl9 n PHE 409 N -2.07 0.56 -2.07 4.41 3.01 -0.53 -4.91 117.46 115.86 3dl9 n PHE 409 Ca 0.05 -0.71 -0.42 0.00 1.01 0.00 0.00 57.45 57.38 3dl9 n PHE 409 Cb 0.37 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.65 3dl9 n PHE 409 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3dl9 s ASP 410 N -1.60 5.78 0.00 4.37 -1.08 0.03 -4.87 116.67 119.31 3dl9 s ASP 410 Ca 0.30 0.94 0.16 0.00 -0.52 0.00 0.00 52.55 53.43 3dl9 s ASP 410 Cb 0.22 -2.53 0.71 0.00 -1.46 0.00 0.00 42.92 39.86 3dl9 s ASP 410 CO 0.10 -1.86 1.52 -0.62 0.52 0.00 0.00 175.17 174.83 3dl9 n GLU 411 N 8.59 0.02 0.26 4.34 1.02 -1.26 -0.59 120.64 133.02 3dl9 n GLU 411 Ca 0.21 0.21 0.11 0.00 -0.02 0.00 0.00 57.16 57.67 3dl9 n GLU 411 Cb 0.49 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 31.10 3dl9 n GLU 411 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3dl9 h LYS 412 N 0.00 0.00 0.00 3.49 3.64 -1.98 -3.33 116.57 118.39 3dl9 h LYS 412 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3dl9 h LYS 412 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3dl9 h LYS 412 CO 0.00 0.10 0.00 0.66 -2.27 0.00 0.00 179.45 177.94 3dl9 n TYR 413 N -3.97 0.00 -3.83 1.91 4.02 0.24 -5.04 117.16 110.49 3dl9 n TYR 413 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 3dl9 n TYR 413 Cb 0.19 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.35 3dl9 n TYR 413 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3dl9 s TRP 414 N -0.28 0.19 -0.32 -0.72 0.52 -0.94 -4.94 118.94 112.45 3dl9 s TRP 414 Ca 0.00 0.07 -0.24 0.00 0.02 0.00 0.00 56.10 55.96 3dl9 s TRP 414 Cb 0.00 -0.37 0.00 0.00 -1.15 0.00 0.00 33.47 31.96 3dl9 s TRP 414 CO 0.00 -0.13 0.81 0.50 0.02 0.00 0.00 176.95 178.15 3dl9 s ARG 415 N 1.21 3.93 -1.20 4.98 6.06 -1.26 -4.32 118.95 128.35 3dl9 s ARG 415 Ca -0.07 0.57 -0.01 0.00 -2.50 0.00 0.00 55.73 53.72 3dl9 s ARG 415 Cb -0.13 -3.74 -0.01 0.00 0.06 0.00 0.00 34.95 31.13 3dl9 s ARG 415 CO -0.03 -0.73 0.94 -0.25 -2.50 0.00 0.00 175.30 172.74 3dl9 n ASP 416 N 6.29 -2.39 0.29 -2.12 9.92 -1.26 -4.88 116.55 122.41 3dl9 n ASP 416 Ca 0.04 -0.66 0.17 0.00 -0.53 0.00 0.00 54.79 53.81 3dl9 n ASP 416 Cb 0.48 -4.96 0.97 0.00 -0.64 0.00 0.00 41.12 36.97 3dl9 n ASP 416 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3dl9 h PRO 417 N -1.81 0.00 0.00 -0.24 0.13 -1.91 -0.83 132.00 127.34 3dl9 h PRO 417 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3dl9 h PRO 417 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3dl9 h PRO 417 CO 0.50 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.42 3dl9 n GLU 418 N -3.67 0.80 -4.67 0.86 0.00 -1.26 -4.63 120.64 108.07 3dl9 n GLU 418 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.16 56.81 3dl9 n GLU 418 Cb 0.12 -1.32 -0.14 0.00 0.00 0.00 0.00 31.44 30.10 3dl9 n GLU 418 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3dl9 s VAL 419 N -2.00 3.29 -0.35 3.84 1.01 -0.32 -5.09 120.40 120.78 3dl9 s VAL 419 Ca 0.24 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.36 3dl9 s VAL 419 Cb 0.11 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 34.09 3dl9 s VAL 419 CO 0.19 0.52 1.44 0.12 0.00 0.00 0.00 175.10 177.36 3dl9 s PHE 420 N 0.34 2.40 -0.45 5.22 5.36 -1.26 -4.94 117.98 124.64 3dl9 s PHE 420 Ca -0.09 0.71 0.05 0.00 -0.96 0.00 0.00 56.93 56.64 3dl9 s PHE 420 Cb -0.15 -4.14 0.18 0.00 -0.34 0.00 0.00 43.02 38.56 3dl9 s PHE 420 CO 0.05 -2.10 0.50 -1.58 -1.46 0.00 0.00 175.22 170.63 3dl9 s HIS 421 N 5.22 -0.21 0.50 10.12 2.46 -1.26 -5.01 115.29 127.11 3dl9 s HIS 421 Ca 0.63 -1.39 0.26 0.00 0.47 0.00 0.00 55.06 55.03 3dl9 s HIS 421 Cb -0.17 -0.34 1.35 0.00 -0.13 0.00 0.00 32.58 33.29 3dl9 s HIS 421 CO 0.30 -1.03 1.89 -1.35 -2.47 0.00 0.00 174.74 172.08 3dl9 h PRO 422 N 5.62 0.12 0.00 2.88 0.11 -1.92 -0.24 132.00 138.57 3dl9 h PRO 422 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 3dl9 h PRO 422 Cb 1.01 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3dl9 h PRO 422 CO 0.20 0.08 -0.00 0.93 -0.21 0.00 0.00 178.00 179.00 3dl9 h GLU 423 N 0.13 0.00 0.00 1.05 3.07 -1.95 -1.28 114.58 115.60 3dl9 h GLU 423 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 3dl9 h GLU 423 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 3dl9 h GLU 423 CO -0.06 0.00 0.05 0.07 -1.40 0.00 0.00 179.01 177.67 3dl9 h ARG 424 N 0.00 0.00 -0.63 2.33 0.11 -1.44 -1.67 114.38 113.07 3dl9 h ARG 424 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dl9 h ARG 424 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 3dl9 h ARG 424 CO 0.00 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.26 3dl9 n PHE 425 N -2.80 0.84 -4.78 4.08 3.01 -0.48 -4.92 117.46 112.41 3dl9 n PHE 425 Ca -0.02 -0.42 -0.32 0.00 1.01 0.00 0.00 57.45 57.69 3dl9 n PHE 425 Cb 0.11 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.45 3dl9 n PHE 425 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dl9 s LEU 426 N -1.05 2.81 0.00 4.37 1.43 -0.63 0.13 118.68 125.74 3dl9 s LEU 426 Ca 0.44 -0.21 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3dl9 s LEU 426 Cb 0.23 -1.59 0.10 0.00 0.03 0.00 0.00 46.19 44.95 3dl9 s LEU 426 CO 0.30 0.33 0.60 -0.90 0.23 0.00 0.00 176.35 176.91 3dl9 n ASP 427 N 2.10 0.17 -0.34 2.29 5.68 -0.39 -4.79 116.55 121.26 3dl9 n ASP 427 Ca -0.17 -1.29 0.02 0.00 -0.50 0.00 0.00 54.79 52.85 3dl9 n ASP 427 Cb 0.52 -0.44 0.16 0.00 -1.14 0.00 0.00 41.12 40.22 3dl9 n ASP 427 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3dl9 h SER 428 N -0.71 0.94 0.05 -1.12 0.02 -1.99 -2.55 113.55 108.19 3dl9 h SER 428 Ca -0.19 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3dl9 h SER 428 Cb 0.56 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dl9 h SER 428 CO 0.15 0.59 0.00 -1.20 -1.14 0.00 0.00 176.83 175.23 3dl9 n SER 429 N -4.56 0.00 0.00 3.07 7.64 -1.26 -4.90 113.62 113.61 3dl9 n SER 429 Ca 0.14 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.38 3dl9 n SER 429 Cb 0.19 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 3dl9 n SER 429 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dl9 n GLY 430 N 0.47 0.72 3.93 0.23 0.00 -0.96 -5.06 105.19 104.52 3dl9 n GLY 430 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 3dl9 n GLY 430 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dl9 s TYR 431 N -2.65 3.20 -0.41 1.61 1.51 -1.26 -4.79 117.35 114.55 3dl9 s TYR 431 Ca 0.00 0.50 -0.29 0.00 -1.01 0.00 0.00 57.07 56.28 3dl9 s TYR 431 Cb 0.00 -2.67 0.02 0.00 -0.11 0.00 0.00 41.96 39.20 3dl9 s TYR 431 CO 0.00 -0.76 1.10 0.12 -1.11 0.00 0.00 175.55 174.90 3dl9 s PHE 432 N -2.90 2.95 -0.32 2.71 5.36 -1.26 -1.27 117.98 123.25 3dl9 s PHE 432 Ca 0.53 0.89 -0.23 0.00 -0.96 0.00 0.00 56.93 57.17 3dl9 s PHE 432 Cb -0.10 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 3dl9 s PHE 432 CO 0.43 -1.06 0.76 0.00 -1.46 0.00 0.00 175.22 173.89 3dl9 s ALA 433 N 4.10 3.50 0.18 11.12 0.00 0.36 -4.90 121.76 136.12 3dl9 s ALA 433 Ca 0.46 -0.53 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3dl9 s ALA 433 Cb -0.09 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 3dl9 s ALA 433 CO 0.25 -1.26 1.30 0.15 0.00 0.00 0.00 175.76 176.20 3dl9 s LYS 434 N 2.94 4.39 0.05 0.00 -0.14 -1.26 -4.71 119.74 121.01 3dl9 s LYS 434 Ca 0.31 2.02 0.05 0.00 -1.36 0.00 0.00 55.97 56.99 3dl9 s LYS 434 Cb -0.14 -3.21 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 3dl9 s LYS 434 CO 0.14 -0.25 -0.08 0.15 -0.76 0.00 0.00 175.35 174.54 3dl9 s LYS 435 N 0.04 2.38 0.00 1.68 -0.14 -1.26 -5.06 119.74 117.39 3dl9 s LYS 435 Ca 0.57 -0.85 0.16 0.00 -1.36 0.00 0.00 55.97 54.48 3dl9 s LYS 435 Cb -0.36 -2.42 -0.18 0.00 -1.68 0.00 0.00 37.83 33.19 3dl9 s LYS 435 CO 0.37 0.56 0.70 -0.85 -0.76 0.00 0.00 175.35 175.37 3dl9 n GLU 436 N 1.16 0.63 -0.06 1.68 0.28 -1.26 -4.05 120.64 119.02 3dl9 n GLU 436 Ca -0.14 0.21 -0.00 0.00 -0.16 0.00 0.00 57.16 57.07 3dl9 n GLU 436 Cb 0.52 -1.77 0.00 0.00 1.43 0.00 0.00 31.44 31.62 3dl9 n GLU 436 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3dl9 n ALA 437 N -2.47 2.68 -3.84 -1.84 0.00 -1.26 -4.72 120.51 109.06 3dl9 n ALA 437 Ca -0.14 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 52.93 3dl9 n ALA 437 Cb 0.92 -1.01 -0.15 0.00 0.00 0.00 0.00 19.45 19.22 3dl9 n ALA 437 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dl9 s LEU 438 N -0.04 2.69 -0.34 0.00 2.96 -1.26 -4.37 118.68 118.32 3dl9 s LEU 438 Ca 0.01 -0.67 0.16 0.00 -0.22 0.00 0.00 54.13 53.41 3dl9 s LEU 438 Cb 0.01 -1.60 0.44 0.00 0.50 0.00 0.00 46.19 45.54 3dl9 s LEU 438 CO 0.00 -0.05 1.08 1.33 -1.32 0.00 0.00 176.35 177.39 3dl9 n VAL 439 N 4.67 0.73 0.54 1.68 0.24 -1.26 -4.93 118.33 120.00 3dl9 n VAL 439 Ca -0.19 -2.59 0.10 0.00 -2.04 0.00 0.00 64.34 59.62 3dl9 n VAL 439 Cb 0.49 0.81 0.43 0.00 -1.47 0.00 0.00 33.84 34.10 3dl9 n VAL 439 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3dl9 n PRO 440 N -0.28 0.10 -0.26 7.34 -0.04 -1.26 -1.18 135.00 139.43 3dl9 n PRO 440 Ca 0.05 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.88 3dl9 n PRO 440 Cb 0.83 -1.67 0.23 0.00 -0.04 0.00 0.00 33.50 32.84 3dl9 n PRO 440 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dl9 n PHE 441 N -1.87 0.68 -4.28 0.54 3.01 -1.26 -4.80 117.46 109.49 3dl9 n PHE 441 Ca 0.04 -0.47 0.00 0.00 1.01 0.00 0.00 57.45 58.03 3dl9 n PHE 441 Cb 0.24 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.70 3dl9 n PHE 441 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dl9 n SER 442 N 1.09 -1.59 -4.13 4.37 2.88 -0.32 0.38 113.62 116.30 3dl9 n SER 442 Ca 0.18 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.61 3dl9 n SER 442 Cb 0.52 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.89 3dl9 n SER 442 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3dl9 s LEU 443 N 0.00 1.05 0.00 2.46 1.43 -1.26 -4.76 118.68 117.60 3dl9 s LEU 443 Ca 0.00 -1.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.87 3dl9 s LEU 443 Cb 0.00 0.73 0.00 0.00 0.03 0.00 0.00 46.19 46.95 3dl9 s LEU 443 CO 0.00 -0.89 0.00 0.61 0.23 0.00 0.00 176.35 176.30 3dl9 n GLY 444 N -0.26 -2.20 0.42 -3.19 0.00 -1.26 -3.59 105.19 95.10 3dl9 n GLY 444 Ca -0.01 -1.75 0.24 0.00 0.00 0.00 0.00 46.02 44.50 3dl9 n GLY 444 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dl9 h ARG 445 N 0.00 0.00 -0.54 1.61 2.47 -1.84 -2.17 114.38 113.91 3dl9 h ARG 445 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dl9 h ARG 445 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 3dl9 h ARG 445 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 179.97 181.07 3dl9 n ARG 446 N -4.31 2.61 -1.47 0.04 5.12 -1.26 -5.02 116.66 112.37 3dl9 n ARG 446 Ca 0.13 -2.46 -0.41 0.00 -1.93 0.00 0.00 57.85 53.18 3dl9 n ARG 446 Cb 0.75 -1.53 0.01 0.00 -1.16 0.00 0.00 32.46 30.53 3dl9 n ARG 446 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 3dl9 n HIS 447 N 1.55 -0.34 -1.50 -1.55 1.44 -0.82 -4.74 115.22 109.27 3dl9 n HIS 447 Ca 0.22 0.59 -0.56 0.00 -2.01 0.00 0.00 57.72 55.95 3dl9 n HIS 447 Cb 0.61 -2.01 -0.07 0.00 0.12 0.00 0.00 29.99 28.64 3dl9 n HIS 447 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3dl9 h LEU 449 N 2.84 0.00 -3.50 0.00 6.46 -1.90 -3.32 115.31 115.89 3dl9 h LEU 449 Ca -0.47 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.14 3dl9 h LEU 449 Cb 1.42 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.29 3dl9 h LEU 449 CO 0.65 0.02 0.09 0.61 -0.62 0.00 0.00 178.44 179.20 3dl9 n GLY 450 N 1.20 3.87 0.24 3.75 0.00 -1.26 -4.74 105.19 108.26 3dl9 n GLY 450 Ca 0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3dl9 n GLY 450 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dl9 h GLU 451 N 2.34 -0.42 -0.24 1.61 4.81 -1.96 0.53 114.58 121.25 3dl9 h GLU 451 Ca 0.13 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3dl9 h GLU 451 Cb 1.89 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.32 3dl9 h GLU 451 CO 0.48 -0.28 -0.01 1.25 -0.73 0.00 0.00 179.01 179.71 3dl9 h HIS 452 N -0.44 -0.04 -0.64 0.92 2.76 -1.91 -1.54 115.15 114.26 3dl9 h HIS 452 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3dl9 h HIS 452 Cb 0.42 0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.40 3dl9 h HIS 452 CO -0.16 -0.05 0.33 1.25 -1.30 0.00 0.00 177.93 178.00 3dl9 h LEU 453 N 0.06 0.82 -0.76 0.26 5.85 -1.85 -1.41 115.31 118.28 3dl9 h LEU 453 Ca 0.12 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3dl9 h LEU 453 Cb 0.16 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3dl9 h LEU 453 CO -0.21 0.69 0.46 0.00 -0.34 0.00 0.00 178.44 179.04 3dl9 h ALA 454 N 1.16 1.02 -0.39 1.25 0.00 -0.57 -1.00 119.26 120.73 3dl9 h ALA 454 Ca 0.22 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3dl9 h ALA 454 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dl9 h ALA 454 CO -0.03 0.19 -0.26 0.00 0.00 0.00 0.00 179.25 179.14 3dl9 h ARG 455 N 0.85 0.86 0.09 0.00 3.08 -0.83 -0.25 114.38 118.17 3dl9 h ARG 455 Ca 0.33 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.97 3dl9 h ARG 455 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 3dl9 h ARG 455 CO -0.16 1.05 -0.12 0.52 -1.07 0.00 0.00 179.97 180.19 3dl9 h MET 456 N 0.67 -0.24 -0.57 0.04 2.86 -0.99 -1.82 114.93 114.89 3dl9 h MET 456 Ca 0.08 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3dl9 h MET 456 Cb 0.84 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.53 3dl9 h MET 456 CO 0.07 -0.16 0.37 0.93 1.06 0.00 0.00 176.91 179.18 3dl9 h GLU 457 N -0.25 0.75 -0.15 1.72 5.08 -1.08 -0.11 114.58 120.54 3dl9 h GLU 457 Ca 0.02 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3dl9 h GLU 457 Cb 0.26 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3dl9 h GLU 457 CO -0.06 0.50 -0.09 0.52 -1.00 0.00 0.00 179.01 178.89 3dl9 h MET 458 N 0.77 -0.08 -0.13 2.33 2.86 -0.98 -0.96 114.93 118.74 3dl9 h MET 458 Ca 0.21 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.84 3dl9 h MET 458 Cb -0.08 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3dl9 h MET 458 CO -0.04 -0.05 0.03 0.35 1.06 0.00 0.00 176.91 178.25 3dl9 h PHE 459 N -0.08 0.22 -0.31 -0.22 3.57 -1.05 -1.63 116.94 117.44 3dl9 h PHE 459 Ca 0.09 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 3dl9 h PHE 459 Cb 0.21 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 3dl9 h PHE 459 CO -0.22 0.38 -0.34 -0.07 -2.23 0.00 0.00 178.31 175.83 3dl9 h LEU 460 N -0.01 0.84 -0.37 0.59 3.38 -0.96 -0.80 115.31 117.98 3dl9 h LEU 460 Ca 0.04 -0.48 -0.16 0.00 0.09 0.00 0.00 57.88 57.37 3dl9 h LEU 460 Cb 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3dl9 h LEU 460 CO 0.00 1.15 -0.38 -0.26 0.09 0.00 0.00 178.44 179.03 3dl9 h PHE 461 N 0.55 1.10 0.03 1.13 -1.00 -1.23 0.15 116.94 117.67 3dl9 h PHE 461 Ca 0.05 -0.33 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 3dl9 h PHE 461 Cb 0.92 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3dl9 h PHE 461 CO 0.07 1.16 -0.02 0.35 -1.61 0.00 0.00 178.31 178.26 3dl9 h PHE 462 N 0.73 -0.04 -0.12 -0.55 3.57 -1.30 -0.77 116.94 118.45 3dl9 h PHE 462 Ca 0.06 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 3dl9 h PHE 462 Cb 0.98 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.73 3dl9 h PHE 462 CO 0.07 0.28 -0.07 1.79 -2.23 0.00 0.00 178.31 178.15 3dl9 h THR 463 N -0.37 1.33 -0.66 4.41 1.35 -1.18 -1.54 112.91 116.24 3dl9 h THR 463 Ca -0.00 -1.12 0.12 0.00 -0.55 0.00 0.00 66.41 64.85 3dl9 h THR 463 Cb 0.35 1.82 -0.04 0.00 -1.73 0.00 0.00 68.15 68.54 3dl9 h THR 463 CO 0.01 0.32 0.44 0.00 -0.25 0.00 0.00 175.52 176.04 3dl9 h ALA 464 N 0.64 2.05 -0.00 6.62 0.00 -0.72 -0.52 119.26 127.32 3dl9 h ALA 464 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dl9 h ALA 464 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dl9 h ALA 464 CO 0.02 -0.21 -0.10 1.25 0.00 0.00 0.00 179.25 180.21 3dl9 h LEU 465 N 0.42 0.09 -0.58 0.00 5.85 -0.87 -3.18 115.31 117.03 3dl9 h LEU 465 Ca 0.31 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 3dl9 h LEU 465 Cb 0.66 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 3dl9 h LEU 465 CO -0.09 0.85 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.51 3dl9 h LEU 466 N -0.66 0.00 -0.50 2.25 3.38 -1.07 -0.84 115.31 117.87 3dl9 h LEU 466 Ca -0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3dl9 h LEU 466 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 3dl9 h LEU 466 CO 0.02 0.28 0.20 -0.61 0.09 0.00 0.00 178.44 178.42 3dl9 h GLN 467 N 0.00 0.39 0.07 1.13 4.15 -1.18 -3.29 115.11 116.37 3dl9 h GLN 467 Ca -0.00 -0.02 -0.30 0.00 0.77 0.00 0.00 58.65 59.09 3dl9 h GLN 467 Cb 0.99 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 3dl9 h GLN 467 CO 0.04 0.26 -1.65 -0.09 -1.93 0.00 0.00 178.83 175.45 3dl9 h ARG 468 N 0.40 0.14 -6.03 1.69 2.43 -1.45 -3.45 114.38 108.10 3dl9 h ARG 468 Ca 0.23 -0.24 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 3dl9 h ARG 468 Cb 0.22 0.09 -0.26 0.00 -0.42 0.00 0.00 29.97 29.60 3dl9 h ARG 468 CO -0.21 0.89 -0.84 -0.06 -1.51 0.00 0.00 179.97 178.24 3dl9 s PHE 469 N -2.61 1.77 -0.14 2.20 0.40 -0.35 -1.43 117.98 117.82 3dl9 s PHE 469 Ca -0.09 -0.37 -0.22 0.00 -0.60 0.00 0.00 56.93 55.65 3dl9 s PHE 469 Cb 0.07 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.52 3dl9 s PHE 469 CO 0.82 0.09 0.65 -1.58 0.70 0.00 0.00 175.22 175.90 3dl9 s HIS 470 N -0.81 3.46 -0.13 0.36 5.65 0.19 -4.44 115.29 119.57 3dl9 s HIS 470 Ca 0.07 1.05 -0.04 0.00 0.25 0.00 0.00 55.06 56.39 3dl9 s HIS 470 Cb -0.09 -2.78 -0.03 0.00 -1.18 0.00 0.00 32.58 28.50 3dl9 s HIS 470 CO 0.02 -0.05 0.02 -0.51 -0.65 0.00 0.00 174.74 173.57 3dl9 s LEU 471 N 1.39 3.61 0.13 8.88 1.43 -1.26 -1.34 118.68 131.52 3dl9 s LEU 471 Ca 0.32 0.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3dl9 s LEU 471 Cb -0.16 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3dl9 s LEU 471 CO 0.13 0.28 0.43 -1.38 0.23 0.00 0.00 176.35 176.04 3dl9 s HIS 472 N -0.28 -0.24 0.33 0.29 -3.43 -0.60 -4.34 115.29 107.03 3dl9 s HIS 472 Ca 0.07 -0.07 -0.27 0.00 -0.80 0.00 0.00 55.06 53.99 3dl9 s HIS 472 Cb -0.12 0.30 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 3dl9 s HIS 472 CO 0.02 -0.73 1.03 -0.06 -2.00 0.00 0.00 174.74 173.00 3dl9 s PHE 473 N -3.80 3.53 0.25 0.38 0.08 -1.26 -0.14 117.98 117.02 3dl9 s PHE 473 Ca 0.03 1.72 -0.30 0.00 0.12 0.00 0.00 56.93 58.50 3dl9 s PHE 473 Cb 0.01 -3.12 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 3dl9 s PHE 473 CO -0.12 -0.31 1.45 -1.25 -0.10 0.00 0.00 175.22 174.89 3dl9 s PRO 474 N -1.93 4.26 -1.09 0.24 0.04 -1.26 -1.27 135.00 133.99 3dl9 s PRO 474 Ca 0.50 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.86 3dl9 s PRO 474 Cb -0.25 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3dl9 s PRO 474 CO 0.32 -0.44 0.00 0.72 0.04 0.00 0.00 177.00 177.64 3dl9 n HIS 475 N 2.35 -1.33 -4.07 0.56 8.25 -1.26 -2.11 115.22 117.61 3dl9 n HIS 475 Ca 0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 3dl9 n HIS 475 Cb 0.40 -2.76 -0.06 0.00 1.12 0.00 0.00 29.99 28.68 3dl9 n HIS 475 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dl9 n GLU 476 N -2.74 -1.08 -2.87 -0.41 -0.58 -0.40 -4.91 120.64 107.65 3dl9 n GLU 476 Ca -0.15 0.11 -0.42 0.00 -0.42 0.00 0.00 57.16 56.28 3dl9 n GLU 476 Cb 0.60 -4.46 -0.04 0.00 -0.57 0.00 0.00 31.44 26.97 3dl9 n GLU 476 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 3dl9 s LEU 477 N -6.59 4.05 0.10 -4.62 2.96 -0.90 -4.95 118.68 108.73 3dl9 s LEU 477 Ca 0.67 0.51 -0.31 0.00 -0.22 0.00 0.00 54.13 54.78 3dl9 s LEU 477 Cb -0.39 -3.17 -0.09 0.00 0.50 0.00 0.00 46.19 43.05 3dl9 s LEU 477 CO 0.82 -0.79 1.63 -0.69 -1.32 0.00 0.00 176.35 176.00 3dl9 s VAL 478 N 3.30 2.91 0.71 1.68 1.01 -1.26 -4.75 120.40 124.00 3dl9 s VAL 478 Ca 0.35 0.47 -0.08 0.00 0.00 0.00 0.00 61.98 62.72 3dl9 s VAL 478 Cb -0.13 -3.30 0.16 0.00 0.00 0.00 0.00 36.38 33.11 3dl9 s VAL 478 CO 0.17 0.01 0.97 -0.81 0.00 0.00 0.00 175.10 175.44 3dl9 n PRO 479 N 5.13 -0.61 -1.95 2.72 -0.04 -1.26 -5.00 135.00 133.99 3dl9 n PRO 479 Ca 0.15 -1.88 -0.42 0.00 -0.04 0.00 0.00 63.50 61.31 3dl9 n PRO 479 Cb 0.40 -0.87 -0.03 0.00 -0.04 0.00 0.00 33.50 32.96 3dl9 n PRO 479 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3dl9 s ASP 480 N -4.67 6.62 0.00 3.54 2.15 -1.26 -4.90 116.67 118.15 3dl9 s ASP 480 Ca 0.58 2.47 0.18 0.00 0.43 0.00 0.00 52.55 56.21 3dl9 s ASP 480 Cb -0.02 -2.57 0.27 0.00 -0.30 0.00 0.00 42.92 40.30 3dl9 s ASP 480 CO 0.40 -0.87 1.20 0.18 -0.17 0.00 0.00 175.17 175.91 3dl9 n LEU 481 N 5.45 2.88 -4.74 -1.34 4.77 -1.26 -4.48 117.00 118.28 3dl9 n LEU 481 Ca 0.15 -1.35 -0.40 0.00 -0.03 0.00 0.00 56.01 54.39 3dl9 n LEU 481 Cb 0.41 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3dl9 n LEU 481 CO 0.62 0.60 0.42 -0.75 -1.33 0.00 0.00 177.39 176.94 3dl9 s LYS 482 N -1.35 4.44 1.02 3.23 2.20 -1.26 -5.03 119.74 123.00 3dl9 s LYS 482 Ca 0.27 0.96 -0.14 0.00 -0.36 0.00 0.00 55.97 56.71 3dl9 s LYS 482 Cb 0.17 -3.38 0.20 0.00 -1.51 0.00 0.00 37.83 33.31 3dl9 s LYS 482 CO 0.24 0.25 1.11 -2.14 -0.36 0.00 0.00 175.35 174.46 3dl9 s PRO 483 N 0.11 0.28 0.54 4.03 0.02 -1.26 -4.39 135.00 134.33 3dl9 s PRO 483 Ca 0.37 0.31 -0.04 0.00 0.02 0.00 0.00 61.00 61.66 3dl9 s PRO 483 Cb -0.19 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.59 3dl9 s PRO 483 CO 0.21 -2.79 0.83 1.03 -0.33 0.00 0.00 177.00 175.95 3dl9 s ARG 484 N -5.15 2.99 0.07 5.54 0.52 -1.06 -4.95 118.95 116.91 3dl9 s ARG 484 Ca 0.66 -0.14 -0.31 0.00 -0.52 0.00 0.00 55.73 55.42 3dl9 s ARG 484 Cb -0.16 -2.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.89 3dl9 s ARG 484 CO 0.56 -0.55 1.27 -1.17 0.02 0.00 0.00 175.30 175.42 3dl9 s LEU 485 N -4.85 4.36 -0.08 2.53 2.96 -1.26 -4.64 118.68 117.70 3dl9 s LEU 485 Ca 0.52 2.11 -0.32 0.00 -0.22 0.00 0.00 54.13 56.21 3dl9 s LEU 485 Cb -0.10 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.15 3dl9 s LEU 485 CO 0.43 -0.54 1.41 -0.83 -1.32 0.00 0.00 176.35 175.50 3dl9 s GLY 486 N 1.13 -0.47 0.48 7.98 0.00 -1.26 -4.86 107.32 110.31 3dl9 s GLY 486 Ca 0.61 0.87 0.31 0.00 0.00 0.00 0.00 44.72 46.51 3dl9 s GLY 486 CO 0.29 0.47 1.91 -0.33 0.00 0.00 0.00 173.10 175.44 3dl9 h MET 487 N 2.00 0.00 -6.49 2.90 2.86 -1.64 -3.42 114.93 111.14 3dl9 h MET 487 Ca -0.33 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 56.69 3dl9 h MET 487 Cb 1.19 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 32.66 3dl9 h MET 487 CO 0.30 0.00 -0.82 0.95 1.06 0.00 0.00 176.91 178.40 3dl9 s THR 488 N -3.56 2.20 -0.23 2.22 -4.23 -1.26 -4.37 115.64 106.41 3dl9 s THR 488 Ca 0.02 -1.95 -0.19 0.00 -1.18 0.00 0.00 61.69 58.39 3dl9 s THR 488 Cb 0.09 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 3dl9 s THR 488 CO 0.52 -0.13 0.58 -0.76 -0.54 0.00 0.00 174.62 174.29 3dl9 s LEU 489 N -2.56 4.10 0.08 4.79 1.43 0.98 -4.90 118.68 122.61 3dl9 s LEU 489 Ca 0.18 0.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.03 3dl9 s LEU 489 Cb -0.08 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 3dl9 s LEU 489 CO 0.08 -0.28 -0.15 0.00 0.23 0.00 0.00 176.35 176.24 3dl9 s GLN 490 N 2.08 0.90 0.87 1.70 -2.07 -1.26 -4.65 119.66 117.23 3dl9 s GLN 490 Ca 0.25 -1.04 -0.11 0.00 -1.82 0.00 0.00 55.36 52.65 3dl9 s GLN 490 Cb -0.16 -0.92 0.11 0.00 -1.09 0.00 0.00 33.01 30.96 3dl9 s GLN 490 CO 0.09 0.20 1.09 -2.14 -1.32 0.00 0.00 175.29 173.22 3dl9 s PRO 491 N -1.93 1.48 0.74 9.60 0.02 -1.26 -2.55 135.00 141.09 3dl9 s PRO 491 Ca 0.01 0.98 -0.12 0.00 0.02 0.00 0.00 61.00 61.90 3dl9 s PRO 491 Cb -0.09 -1.82 0.04 0.00 0.02 0.00 0.00 34.50 32.64 3dl9 s PRO 491 CO 0.03 -2.13 1.09 -0.65 -0.33 0.00 0.00 177.00 175.01 3dl9 s GLN 492 N -4.89 2.46 0.18 5.54 -1.52 -1.26 -4.81 119.66 115.36 3dl9 s GLN 492 Ca 0.63 1.20 -0.33 0.00 -1.95 0.00 0.00 55.36 54.91 3dl9 s GLN 492 Cb -0.18 -1.92 -0.13 0.00 -0.22 0.00 0.00 33.01 30.55 3dl9 s GLN 492 CO 0.57 -1.49 1.60 -2.30 -0.25 0.00 0.00 175.29 173.42 3dl9 n PRO 493 N -3.20 2.29 -3.92 2.91 -0.02 -1.26 -4.97 135.00 126.82 3dl9 n PRO 493 Ca 0.09 0.83 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3dl9 n PRO 493 Cb 0.53 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.29 3dl9 n PRO 493 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3dl9 s TYR 494 N 0.88 0.13 0.21 6.00 -0.85 -1.26 -4.93 117.35 117.53 3dl9 s TYR 494 Ca 0.77 -0.28 -0.01 0.00 -0.52 0.00 0.00 57.07 57.03 3dl9 s TYR 494 Cb -0.64 -0.11 -0.04 0.00 0.38 0.00 0.00 41.96 41.55 3dl9 s TYR 494 CO 0.38 -0.18 0.40 -0.51 -1.52 0.00 0.00 175.55 174.12 3dl9 s LEU 495 N -1.13 4.21 -0.01 -3.49 1.43 -1.26 -4.40 118.68 114.02 3dl9 s LEU 495 Ca -0.12 0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 53.35 3dl9 s LEU 495 Cb -0.07 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 42.95 3dl9 s LEU 495 CO -0.00 -0.05 0.12 -0.63 0.23 0.00 0.00 176.35 176.01 3dl9 s ILE 496 N -1.88 0.06 -0.24 -0.59 1.01 0.46 -4.58 121.20 115.44 3dl9 s ILE 496 Ca 0.39 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.46 3dl9 s ILE 496 Cb -0.11 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 3dl9 s ILE 496 CO 0.29 -0.26 0.14 0.00 0.00 0.00 0.00 174.94 175.10 3dl9 s ALA 498 N 1.11 3.12 -0.18 0.00 0.00 -1.26 -1.55 121.76 123.00 3dl9 s ALA 498 Ca 0.07 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3dl9 s ALA 498 Cb -0.14 -2.30 -0.01 0.00 0.00 0.00 0.00 23.12 20.67 3dl9 s ALA 498 CO 0.05 -1.15 -0.08 -1.21 0.00 0.00 0.00 175.76 173.37 3dl9 s GLU 499 N 1.49 3.41 0.41 0.00 2.02 -0.45 -3.64 118.70 121.94 3dl9 s GLU 499 Ca 0.01 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.11 3dl9 s GLU 499 Cb -0.18 -2.86 -0.08 0.00 0.10 0.00 0.00 34.13 31.11 3dl9 s GLU 499 CO 0.04 -0.00 1.25 -0.98 0.02 0.00 0.00 175.26 175.58 3dl9 s ARG 500 N 0.95 3.96 0.00 1.61 1.70 -1.26 0.54 118.95 126.45 3dl9 s ARG 500 Ca -0.01 2.02 0.00 0.00 -0.47 0.00 0.00 55.73 57.27 3dl9 s ARG 500 Cb -0.15 -2.69 0.00 0.00 -0.57 0.00 0.00 34.95 31.54 3dl9 s ARG 500 CO 0.00 -0.45 0.00 0.54 -1.08 0.00 0.00 175.30 174.31 3dl9 n ARG 501 N 0.04 0.00 -2.20 3.89 1.74 -0.51 -4.60 116.66 115.02 3dl9 n ARG 501 Ca 0.04 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.77 3dl9 n ARG 501 Cb 0.45 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 3dl9 n ARG 501 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3dl9 n HIS 502 N -0.92 2.65 -2.15 -1.55 8.25 -1.26 -4.98 115.22 115.26 3dl9 n HIS 502 Ca 0.00 -2.74 -0.42 0.00 -0.26 0.00 0.00 57.72 54.30 3dl9 n HIS 502 Cb 0.00 -1.64 -0.03 0.00 1.12 0.00 0.00 29.99 29.44 3dl9 n HIS 502 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3dl9 s HIS 503 N -2.12 3.00 0.06 4.41 2.46 -1.26 -5.02 115.29 116.82 3dl9 s HIS 503 Ca 0.49 0.81 -0.06 0.00 0.47 0.00 0.00 55.06 56.77 3dl9 s HIS 503 Cb 0.18 -3.72 -0.01 0.00 -0.13 0.00 0.00 32.58 28.90 3dl9 s HIS 503 CO -0.10 -2.63 0.12 -3.38 -2.47 0.00 0.00 174.74 166.27 3dl9 s HIS 504 N 1.75 0.22 -2.90 3.88 -3.43 -1.26 -5.25 115.29 108.31 3dl9 s HIS 504 Ca 0.66 -0.61 0.25 0.00 -0.80 0.00 0.00 55.06 54.56 3dl9 s HIS 504 Cb -0.36 -0.14 0.36 0.00 -1.43 0.00 0.00 32.58 31.01 3dl9 s HIS 504 CO 0.29 -0.44 1.36 0.72 -2.00 0.00 0.00 174.74 174.67