#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm9 s ILE 5 N 0.00 5.04 0.47 2.46 1.01 -1.26 -5.04 121.20 123.88 1sm9 s ILE 5 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.95 1sm9 s ILE 5 Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.26 1sm9 s ILE 5 CO 0.00 -0.55 1.12 -2.65 0.00 0.00 0.00 174.94 172.86 1sm9 n PRO 6 N 5.72 1.49 -4.03 2.79 -0.02 -1.26 -4.76 135.00 134.93 1sm9 n PRO 6 Ca -0.08 0.54 -0.25 0.00 -2.02 0.00 0.00 63.50 61.70 1sm9 n PRO 6 Cb 0.46 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.68 1sm9 n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1sm9 s ASP 7 N -0.78 5.87 -0.08 2.55 1.01 -1.26 -0.94 116.67 123.04 1sm9 s ASP 7 Ca 0.65 -0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.92 1sm9 s ASP 7 Cb -0.50 -1.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1sm9 s ASP 7 CO 0.55 0.03 -0.23 -0.63 0.21 0.00 0.00 175.17 175.10 1sm9 s ILE 8 N -1.85 2.23 -0.33 0.77 1.01 0.84 -4.83 121.20 119.03 1sm9 s ILE 8 Ca 0.33 -0.98 -0.24 0.00 0.00 0.00 0.00 60.65 59.75 1sm9 s ILE 8 Cb -0.10 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.53 1sm9 s ILE 8 CO 0.26 0.56 0.84 -0.75 0.00 0.00 0.00 174.94 175.86 1sm9 s LYS 9 N 0.08 3.89 0.77 2.79 2.20 -1.26 -0.84 119.74 127.37 1sm9 s LYS 9 Ca -0.10 0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 55.96 1sm9 s LYS 9 Cb -0.16 -3.76 0.05 0.00 -1.51 0.00 0.00 37.83 32.45 1sm9 s LYS 9 CO 0.06 -0.80 1.08 -0.51 -0.36 0.00 0.00 175.35 174.82 1sm9 s LEU 10 N 3.17 2.78 0.62 5.43 1.43 -0.22 -4.92 118.68 126.97 1sm9 s LEU 10 Ca 0.35 1.43 0.36 0.00 -1.03 0.00 0.00 54.13 55.23 1sm9 s LEU 10 Cb -0.13 -4.12 2.08 0.00 0.03 0.00 0.00 46.19 44.05 1sm9 s LEU 10 CO 0.15 -1.82 2.30 0.77 0.23 0.00 0.00 176.35 177.99 1sm9 h SER 11 N -0.98 0.00 0.75 2.29 4.64 -1.80 -0.43 113.55 118.01 1sm9 h SER 11 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1sm9 h SER 11 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1sm9 h SER 11 CO 0.58 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 1sm9 n SER 12 N -3.50 0.00 0.00 4.97 3.41 -1.26 -4.90 113.62 112.34 1sm9 n SER 12 Ca -0.03 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1sm9 n SER 12 Cb 0.08 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1sm9 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sm9 n GLY 13 N 1.27 1.80 3.85 5.00 0.00 -0.17 -5.06 105.19 111.88 1sm9 n GLY 13 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1sm9 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sm9 s HIS 14 N -2.41 3.51 0.14 1.61 4.02 -1.26 -4.79 115.29 116.12 1sm9 s HIS 14 Ca 0.00 1.13 -0.21 0.00 1.02 0.00 0.00 55.06 57.00 1sm9 s HIS 14 Cb 0.00 -2.44 -0.07 0.00 -1.02 0.00 0.00 32.58 29.04 1sm9 s HIS 14 CO 0.00 0.28 0.67 -0.51 1.02 0.00 0.00 174.74 176.20 1sm9 s LEU 15 N -2.43 4.48 -0.08 0.89 1.43 -1.26 -1.05 118.68 120.66 1sm9 s LEU 15 Ca 0.45 1.39 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 1sm9 s LEU 15 Cb -0.13 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.89 1sm9 s LEU 15 CO 0.20 0.18 -0.08 -0.32 0.23 0.00 0.00 176.35 176.55 1sm9 s MET 16 N -1.43 1.38 0.27 1.70 -2.45 -0.02 -4.92 119.30 113.84 1sm9 s MET 16 Ca 0.35 -0.26 -0.30 0.00 -1.25 0.00 0.00 55.69 54.23 1sm9 s MET 16 Cb -0.19 -1.30 -0.12 0.00 1.25 0.00 0.00 34.83 34.46 1sm9 s MET 16 CO 0.22 -0.11 1.60 -2.30 1.05 0.00 0.00 175.02 175.48 1sm9 n PRO 17 N 4.29 2.66 0.00 4.11 -0.02 -1.26 -0.11 135.00 144.67 1sm9 n PRO 17 Ca -0.19 0.95 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1sm9 n PRO 17 Cb 0.51 -2.73 0.49 0.00 -0.02 0.00 0.00 33.50 31.74 1sm9 n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sm9 n SER 18 N 2.45 0.03 -3.85 2.55 3.41 -0.11 -4.57 113.62 113.52 1sm9 n SER 18 Ca 0.10 0.50 -0.24 0.00 -0.26 0.00 0.00 58.87 58.97 1sm9 n SER 18 Cb 0.36 -0.51 -0.17 0.00 -0.26 0.00 0.00 64.21 63.63 1sm9 n SER 18 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sm9 s ILE 19 N -3.01 0.68 0.13 -1.33 1.01 -1.25 -1.25 121.20 116.18 1sm9 s ILE 19 Ca 0.11 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.67 1sm9 s ILE 19 Cb 0.15 -0.75 -0.00 0.00 0.01 0.00 0.00 42.46 41.86 1sm9 s ILE 19 CO 0.42 0.30 0.02 0.61 0.00 0.00 0.00 174.94 176.29 1sm9 n GLY 20 N 4.87 3.95 3.20 6.18 0.00 0.99 -4.58 105.19 119.79 1sm9 n GLY 20 Ca -0.12 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 1sm9 n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sm9 s PHE 21 N -1.73 2.95 0.17 1.61 5.36 -0.21 -3.71 117.98 122.42 1sm9 s PHE 21 Ca 0.03 -1.42 -0.30 0.00 -0.96 0.00 0.00 56.93 54.28 1sm9 s PHE 21 Cb 0.00 -2.02 -0.07 0.00 -0.34 0.00 0.00 43.02 40.58 1sm9 s PHE 21 CO 0.02 -0.71 1.05 0.20 -1.46 0.00 0.00 175.22 174.33 1sm9 s GLY 22 N 1.35 2.92 0.00 13.12 0.00 -0.90 -1.10 107.32 122.70 1sm9 s GLY 22 Ca 0.03 0.74 0.11 0.00 0.00 0.00 0.00 44.72 45.61 1sm9 s GLY 22 CO -0.07 1.56 1.26 0.00 0.00 0.00 0.00 173.10 175.85 1sm9 s TRP 24 N -1.00 3.63 -0.97 0.00 -0.00 -1.26 -2.86 118.94 116.48 1sm9 s TRP 24 Ca 0.24 1.62 0.00 0.00 -0.00 0.00 0.00 56.10 57.96 1sm9 s TRP 24 Cb 0.12 -3.19 0.00 0.00 -0.00 0.00 0.00 33.47 30.41 1sm9 s TRP 24 CO 0.16 -0.29 0.00 1.63 -0.00 0.00 0.00 176.95 178.45 1sm9 n LYS 25 N 3.66 -0.86 -3.18 5.86 5.02 -1.26 -4.97 118.16 122.44 1sm9 n LYS 25 Ca 0.06 0.59 -0.44 0.00 -2.02 0.00 0.00 58.31 56.50 1sm9 n LYS 25 Cb 0.49 -4.67 -0.06 0.00 -0.02 0.00 0.00 35.03 30.77 1sm9 n LYS 25 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sm9 s LEU 26 N -3.04 5.16 0.14 -0.35 2.96 -1.13 -5.01 118.68 117.40 1sm9 s LEU 26 Ca 0.00 -1.09 -0.34 0.00 -0.22 0.00 0.00 54.13 52.47 1sm9 s LEU 26 Cb 0.00 -2.38 -0.16 0.00 0.50 0.00 0.00 46.19 44.15 1sm9 s LEU 26 CO 0.00 -0.91 1.20 0.00 -1.32 0.00 0.00 176.35 175.32 1sm9 n ALA 27 N 6.07 -1.01 -0.13 5.97 0.00 -1.26 -4.77 120.51 125.38 1sm9 n ALA 27 Ca -0.08 0.49 0.09 0.00 0.00 0.00 0.00 53.44 53.94 1sm9 n ALA 27 Cb 0.44 -2.02 0.43 0.00 0.00 0.00 0.00 19.45 18.30 1sm9 n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1sm9 h ASN 28 N 3.70 0.51 -0.29 0.00 4.21 -1.94 -0.45 115.58 121.31 1sm9 h ASN 28 Ca -0.45 0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.00 1sm9 h ASN 28 Cb 1.35 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.43 1sm9 h ASN 28 CO 0.72 0.32 -0.06 0.00 -1.29 0.00 0.00 177.43 177.12 1sm9 h ALA 29 N 1.66 1.15 -0.05 -0.83 0.00 -2.01 -3.28 119.26 115.90 1sm9 h ALA 29 Ca 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sm9 h ALA 29 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sm9 h ALA 29 CO -0.09 0.54 0.00 0.25 0.00 0.00 0.00 179.25 179.95 1sm9 n THR 30 N -4.21 0.88 -0.35 0.00 -2.24 -1.11 -4.72 114.28 102.53 1sm9 n THR 30 Ca 0.02 -0.94 -0.03 0.00 -2.27 0.00 0.00 64.05 60.83 1sm9 n THR 30 Cb 0.31 0.56 0.10 0.00 -2.10 0.00 0.00 70.33 69.20 1sm9 n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sm9 h ALA 31 N 0.34 1.18 0.56 6.98 0.00 -1.14 -0.93 119.26 126.26 1sm9 h ALA 31 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1sm9 h ALA 31 Cb 0.48 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sm9 h ALA 31 CO 0.00 0.60 -0.32 0.78 0.00 0.00 0.00 179.25 180.31 1sm9 h GLY 32 N 1.27 -0.87 0.59 0.00 0.00 -1.81 0.04 103.07 102.29 1sm9 h GLY 32 Ca 0.34 0.35 0.07 0.00 0.00 0.00 0.00 47.33 48.09 1sm9 h GLY 32 CO -0.07 -0.32 0.33 -2.09 0.00 0.00 0.00 176.54 174.40 1sm9 h GLU 33 N -0.82 0.58 -0.56 4.80 4.57 -1.86 -0.56 114.58 120.73 1sm9 h GLU 33 Ca -0.07 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.02 1sm9 h GLU 33 Cb 0.65 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 1sm9 h GLU 33 CO 0.09 0.39 0.12 1.96 -1.18 0.00 0.00 179.01 180.38 1sm9 h GLN 34 N 0.60 0.87 -0.41 1.92 4.20 -0.91 0.50 115.11 121.88 1sm9 h GLN 34 Ca 0.30 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.74 1sm9 h GLN 34 Cb 0.25 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1sm9 h GLN 34 CO -0.22 0.79 -0.08 0.28 -0.67 0.00 0.00 178.83 178.94 1sm9 h VAL 35 N 0.83 1.27 -0.23 -0.54 2.07 -0.29 -0.17 116.25 119.19 1sm9 h VAL 35 Ca 0.18 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.55 1sm9 h VAL 35 Cb 0.33 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1sm9 h VAL 35 CO 0.00 0.39 0.11 0.22 0.02 0.00 0.00 177.57 178.31 1sm9 h TYR 36 N 0.59 0.20 -0.84 1.57 3.20 -0.79 -0.39 116.97 120.52 1sm9 h TYR 36 Ca 0.11 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1sm9 h TYR 36 Cb 0.60 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1sm9 h TYR 36 CO 0.05 0.11 0.38 1.96 -1.64 0.00 0.00 178.16 179.02 1sm9 h GLN 37 N 0.23 1.22 -0.69 1.82 1.08 -0.70 -0.66 115.11 117.41 1sm9 h GLN 37 Ca 0.09 -0.20 0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1sm9 h GLN 37 Cb 0.03 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.21 1sm9 h GLN 37 CO -0.07 0.96 0.45 0.00 -0.95 0.00 0.00 178.83 179.22 1sm9 h ALA 38 N 1.21 0.89 -0.40 3.87 0.00 -0.59 0.93 119.26 125.16 1sm9 h ALA 38 Ca 0.28 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1sm9 h ALA 38 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1sm9 h ALA 38 CO -0.03 0.27 0.00 0.82 0.00 0.00 0.00 179.25 180.32 1sm9 h ILE 39 N 0.91 1.22 -0.29 0.00 2.04 -0.41 -0.85 117.51 120.13 1sm9 h ILE 39 Ca 0.26 -0.87 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 1sm9 h ILE 39 Cb -0.07 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1sm9 h ILE 39 CO -0.07 0.30 -0.22 0.11 0.00 0.00 0.00 178.15 178.27 1sm9 h LYS 40 N 0.60 0.54 0.00 2.37 1.57 -0.14 -2.14 116.57 119.38 1sm9 h LYS 40 Ca 0.12 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1sm9 h LYS 40 Cb 0.37 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1sm9 h LYS 40 CO 0.01 0.73 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 1sm9 n ALA 41 N -2.49 2.49 0.00 3.86 0.00 0.22 -4.88 120.51 119.72 1sm9 n ALA 41 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1sm9 n ALA 41 Cb 0.40 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1sm9 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 42 N 0.64 0.41 3.76 0.00 0.00 -0.80 -5.01 105.19 104.19 1sm9 n GLY 42 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1sm9 n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sm9 s TYR 43 N -2.00 3.36 0.00 1.61 1.51 -0.43 -4.93 117.35 116.47 1sm9 s TYR 43 Ca 0.00 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 1sm9 s TYR 43 Cb 0.00 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 1sm9 s TYR 43 CO 0.00 -1.12 0.00 0.54 -1.11 0.00 0.00 175.55 173.86 1sm9 n ARG 44 N 1.14 1.73 -3.97 -0.62 5.12 -1.26 -4.18 116.66 114.62 1sm9 n ARG 44 Ca -0.00 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.57 1sm9 n ARG 44 Cb 0.44 -0.93 -0.10 0.00 -1.16 0.00 0.00 32.46 30.71 1sm9 n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1sm9 s LEU 45 N -2.91 3.83 -0.19 0.55 0.20 -1.26 0.04 118.68 118.94 1sm9 s LEU 45 Ca 0.00 0.08 0.01 0.00 0.69 0.00 0.00 54.13 54.90 1sm9 s LEU 45 Cb 0.00 -1.97 0.02 0.00 -0.43 0.00 0.00 46.19 43.81 1sm9 s LEU 45 CO 0.00 0.16 -0.18 -0.36 -0.29 0.00 0.00 176.35 175.68 1sm9 s PHE 46 N 0.45 2.84 -0.60 5.38 0.40 -0.14 -1.04 117.98 125.28 1sm9 s PHE 46 Ca 0.04 -1.67 -0.22 0.00 -0.60 0.00 0.00 56.93 54.47 1sm9 s PHE 46 Cb -0.12 -1.93 0.06 0.00 0.51 0.00 0.00 43.02 41.53 1sm9 s PHE 46 CO 0.00 -0.80 0.88 0.34 0.70 0.00 0.00 175.22 176.34 1sm9 s ASP 47 N 1.28 6.23 0.26 1.36 2.15 -0.26 -1.22 116.67 126.47 1sm9 s ASP 47 Ca 0.04 -0.84 0.02 0.00 0.43 0.00 0.00 52.55 52.20 1sm9 s ASP 47 Cb -0.14 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.11 1sm9 s ASP 47 CO -0.11 -1.26 0.15 0.61 -0.17 0.00 0.00 175.17 174.39 1sm9 n GLY 48 N 5.24 3.13 3.63 2.66 0.00 0.50 -1.72 105.19 118.63 1sm9 n GLY 48 Ca -0.03 -2.25 -0.09 0.00 0.00 0.00 0.00 46.02 43.65 1sm9 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm9 s ALA 49 N -2.39 -1.99 0.35 4.61 0.00 -1.26 -3.76 121.76 117.31 1sm9 s ALA 49 Ca 0.11 1.81 0.08 0.00 0.00 0.00 0.00 51.96 53.96 1sm9 s ALA 49 Cb -0.01 -1.35 0.79 0.00 0.00 0.00 0.00 23.12 22.55 1sm9 s ALA 49 CO 0.07 -0.24 1.87 0.93 0.00 0.00 0.00 175.76 178.40 1sm9 h GLU 50 N 3.78 0.70 0.00 0.00 5.08 -1.93 -0.97 114.58 121.24 1sm9 h GLU 50 Ca -0.26 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1sm9 h GLU 50 Cb 1.18 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.26 1sm9 h GLU 50 CO 0.15 0.46 -0.08 0.22 -1.00 0.00 0.00 179.01 178.77 1sm9 h ASP 51 N 0.72 0.00 0.52 1.42 -0.00 -1.95 -2.35 116.42 114.78 1sm9 h ASP 51 Ca 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 57.03 57.47 1sm9 h ASP 51 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 40.01 1sm9 h ASP 51 CO -0.21 0.08 -0.04 1.88 -0.00 0.00 0.00 179.24 180.95 1sm9 h TYR 52 N 0.00 0.00 -0.70 0.28 0.05 -1.54 -3.47 116.97 111.59 1sm9 h TYR 52 Ca -0.00 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.48 1sm9 h TYR 52 Cb 0.14 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.76 1sm9 h TYR 52 CO 0.00 0.04 -0.27 0.41 -1.05 0.00 0.00 178.16 177.29 1sm9 n GLY 53 N -0.50 1.47 0.36 3.88 0.00 -0.89 -4.85 105.19 104.66 1sm9 n GLY 53 Ca -0.01 -0.16 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1sm9 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sm9 n ASN 54 N -0.80 1.63 0.17 1.61 0.23 -1.26 -4.79 115.26 112.05 1sm9 n ASN 54 Ca -0.15 -2.92 0.04 0.00 -0.53 0.00 0.00 54.58 51.02 1sm9 n ASN 54 Cb 0.54 -0.39 0.43 0.00 -2.08 0.00 0.00 39.78 38.29 1sm9 n ASN 54 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1sm9 h GLU 55 N 0.25 0.12 -0.31 -3.83 5.08 -1.88 -0.73 114.58 113.28 1sm9 h GLU 55 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1sm9 h GLU 55 Cb 1.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1sm9 h GLU 55 CO 0.01 0.30 0.14 0.87 -1.00 0.00 0.00 179.01 179.32 1sm9 h LYS 56 N 0.11 0.45 -0.14 2.33 1.57 -1.87 -0.15 116.57 118.87 1sm9 h LYS 56 Ca 0.02 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1sm9 h LYS 56 Cb 0.37 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1sm9 h LYS 56 CO 0.02 0.44 0.02 0.93 -0.57 0.00 0.00 179.45 180.29 1sm9 h GLU 57 N 0.36 0.23 -0.68 3.15 3.07 -1.74 0.42 114.58 119.40 1sm9 h GLU 57 Ca 0.10 -0.06 0.11 0.00 -0.50 0.00 0.00 59.36 59.01 1sm9 h GLU 57 Cb 0.14 -0.03 -0.08 0.00 -0.84 0.00 0.00 28.75 27.94 1sm9 h GLU 57 CO -0.01 0.42 0.26 0.28 -1.40 0.00 0.00 179.01 178.57 1sm9 h VAL 58 N 0.01 0.73 -0.51 3.13 2.07 -1.10 0.16 116.25 120.73 1sm9 h VAL 58 Ca 0.04 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.45 1sm9 h VAL 58 Cb 0.31 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 1sm9 h VAL 58 CO 0.00 0.08 0.27 1.23 0.02 0.00 0.00 177.57 179.18 1sm9 h GLY 59 N 0.44 0.72 0.83 2.17 0.00 -0.17 -1.44 103.07 105.62 1sm9 h GLY 59 Ca 0.35 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.52 1sm9 h GLY 59 CO -0.35 0.13 0.28 -0.55 0.00 0.00 0.00 176.54 176.05 1sm9 h ASP 60 N 0.53 0.43 -0.21 0.19 3.32 0.22 -0.63 116.42 120.27 1sm9 h ASP 60 Ca 0.22 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1sm9 h ASP 60 Cb 0.11 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1sm9 h ASP 60 CO -0.14 0.30 0.12 1.23 -1.72 0.00 0.00 179.24 179.03 1sm9 h GLY 61 N 0.55 0.28 0.93 2.75 0.00 -0.19 0.11 103.07 107.51 1sm9 h GLY 61 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 1sm9 h GLY 61 CO -0.11 0.08 0.14 -2.08 0.00 0.00 0.00 176.54 174.57 1sm9 h VAL 62 N 0.25 1.16 -0.95 4.60 2.07 -1.04 -2.25 116.25 120.09 1sm9 h VAL 62 Ca 0.08 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1sm9 h VAL 62 Cb -0.01 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1sm9 h VAL 62 CO -0.04 0.17 0.59 0.50 0.02 0.00 0.00 177.57 178.81 1sm9 h LYS 63 N 0.35 1.28 -0.81 1.57 3.64 -0.84 0.25 116.57 122.01 1sm9 h LYS 63 Ca 0.10 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1sm9 h LYS 63 Cb 0.13 -0.27 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1sm9 h LYS 63 CO -0.01 0.88 0.46 -0.09 -2.27 0.00 0.00 179.45 178.42 1sm9 h ARG 64 N 1.30 1.12 -0.54 1.90 2.43 -0.52 0.76 114.38 120.82 1sm9 h ARG 64 Ca 0.34 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.28 1sm9 h ARG 64 Cb -0.09 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 1sm9 h ARG 64 CO -0.07 0.81 -0.11 0.00 -1.51 0.00 0.00 179.97 179.09 1sm9 h ALA 65 N 1.25 0.75 -0.10 2.80 0.00 -0.75 -2.71 119.26 120.50 1sm9 h ALA 65 Ca 0.29 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1sm9 h ALA 65 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1sm9 h ALA 65 CO -0.05 0.67 0.03 0.82 0.00 0.00 0.00 179.25 180.71 1sm9 h ILE 66 N 0.91 1.18 -0.04 0.00 2.04 -0.44 -2.08 117.51 119.09 1sm9 h ILE 66 Ca 0.14 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1sm9 h ILE 66 Cb 0.68 1.38 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 1sm9 h ILE 66 CO 0.05 0.16 0.05 0.44 0.00 0.00 0.00 178.15 178.85 1sm9 h ASP 67 N -0.04 0.00 0.39 1.72 3.32 -0.79 0.24 116.42 121.26 1sm9 h ASP 67 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1sm9 h ASP 67 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1sm9 h ASP 67 CO -0.00 0.00 -0.26 -0.62 -1.72 0.00 0.00 179.24 176.64 1sm9 n GLU 68 N -3.63 0.53 -0.84 3.56 1.02 -1.03 -4.92 120.64 115.33 1sm9 n GLU 68 Ca -0.02 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1sm9 n GLU 68 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1sm9 n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm9 n GLY 69 N 1.38 0.65 0.26 0.62 0.00 0.07 -4.92 105.19 103.25 1sm9 n GLY 69 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1sm9 n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sm9 h LEU 70 N 0.00 0.86 -8.41 0.99 3.38 -1.57 -3.46 115.31 107.10 1sm9 h LEU 70 Ca 0.00 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1sm9 h LEU 70 Cb 0.00 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.41 1sm9 h LEU 70 CO 0.00 0.91 -0.32 0.68 0.09 0.00 0.00 178.44 179.80 1sm9 s VAL 71 N -5.17 0.00 0.16 1.22 -7.23 -1.23 -5.04 120.40 103.11 1sm9 s VAL 71 Ca -0.12 -1.66 0.10 0.00 -1.81 0.00 0.00 61.98 58.49 1sm9 s VAL 71 Cb 0.12 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1sm9 s VAL 71 CO 0.82 0.00 -0.20 -0.54 -0.31 0.00 0.00 175.10 174.87 1sm9 s LYS 72 N -3.98 1.67 0.31 4.82 1.02 -1.26 -4.23 119.74 118.10 1sm9 s LYS 72 Ca 0.30 -1.36 0.08 0.00 0.02 0.00 0.00 55.97 55.00 1sm9 s LYS 72 Cb 0.02 -1.98 0.88 0.00 -0.52 0.00 0.00 37.83 36.23 1sm9 s LYS 72 CO 0.11 0.43 1.66 -0.09 -0.92 0.00 0.00 175.35 176.55 1sm9 h ARG 73 N 3.38 0.29 0.00 1.68 9.65 -1.97 0.83 114.38 128.24 1sm9 h ARG 73 Ca -0.48 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 1sm9 h ARG 73 Cb 1.19 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1sm9 h ARG 73 CO 0.47 0.19 0.00 1.05 2.80 0.00 0.00 179.97 184.48 1sm9 h GLU 74 N 0.30 0.00 -0.00 0.20 9.09 -2.04 -2.33 114.58 119.79 1sm9 h GLU 74 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 1sm9 h GLU 74 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1sm9 h GLU 74 CO -0.62 0.00 -0.43 0.39 0.05 0.00 0.00 179.01 178.41 1sm9 n GLU 75 N -2.78 0.47 -3.84 1.06 1.02 0.28 -4.84 120.64 112.01 1sm9 n GLU 75 Ca -0.01 -0.30 -0.35 0.00 -0.02 0.00 0.00 57.16 56.48 1sm9 n GLU 75 Cb 0.15 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1sm9 n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sm9 s ILE 76 N -2.73 5.17 -0.36 -3.67 -1.09 -0.88 -4.84 121.20 112.79 1sm9 s ILE 76 Ca 0.17 0.10 -0.10 0.00 -2.23 0.00 0.00 60.65 58.59 1sm9 s ILE 76 Cb 0.18 -3.35 0.02 0.00 -1.58 0.00 0.00 42.46 37.74 1sm9 s ILE 76 CO 0.62 0.45 0.19 0.12 -1.23 0.00 0.00 174.94 175.09 1sm9 s PHE 77 N 0.34 3.23 -0.26 3.97 2.19 0.11 -4.93 117.98 122.62 1sm9 s PHE 77 Ca 0.06 -0.94 -0.09 0.00 0.33 0.00 0.00 56.93 56.29 1sm9 s PHE 77 Cb -0.12 -2.41 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 1sm9 s PHE 77 CO -0.01 -0.63 0.14 -0.51 1.83 0.00 0.00 175.22 176.04 1sm9 s LEU 78 N 1.55 3.82 -0.09 6.12 1.43 -1.26 -0.97 118.68 129.27 1sm9 s LEU 78 Ca 0.02 -0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1sm9 s LEU 78 Cb -0.19 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.96 1sm9 s LEU 78 CO 0.06 -0.01 0.00 -0.89 0.23 0.00 0.00 176.35 175.74 1sm9 s THR 79 N 1.52 4.31 0.28 5.49 2.01 -0.36 -1.42 115.64 127.46 1sm9 s THR 79 Ca 0.06 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1sm9 s THR 79 Cb -0.15 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 1sm9 s THR 79 CO 0.07 0.59 0.20 -0.55 -0.69 0.00 0.00 174.62 174.24 1sm9 s SER 80 N -0.75 1.09 -0.04 3.53 0.15 0.10 -0.37 113.70 117.41 1sm9 s SER 80 Ca 0.12 -1.58 -0.01 0.00 0.70 0.00 0.00 55.95 55.18 1sm9 s SER 80 Cb -0.12 0.45 0.03 0.00 -1.71 0.00 0.00 66.02 64.68 1sm9 s SER 80 CO 0.02 -0.94 0.08 -0.54 1.20 0.00 0.00 173.24 173.06 1sm9 s LYS 81 N -3.80 0.02 -0.21 5.44 1.02 -1.25 -1.76 119.74 119.21 1sm9 s LYS 81 Ca 0.39 0.25 -0.29 0.00 0.02 0.00 0.00 55.97 56.34 1sm9 s LYS 81 Cb 0.05 -0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.14 1sm9 s LYS 81 CO 0.19 -0.15 1.66 -1.17 -0.92 0.00 0.00 175.35 174.97 1sm9 s LEU 82 N 1.00 3.88 0.76 3.17 2.96 0.66 -3.18 118.68 127.94 1sm9 s LEU 82 Ca -0.08 1.67 -0.11 0.00 -0.22 0.00 0.00 54.13 55.39 1sm9 s LEU 82 Cb -0.11 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.10 1sm9 s LEU 82 CO -0.04 -1.30 1.08 0.86 -1.32 0.00 0.00 176.35 175.64 1sm9 s TRP 83 N 5.37 2.77 0.49 5.38 -0.11 -1.26 -2.15 118.94 129.43 1sm9 s TRP 83 Ca 0.74 1.42 0.26 0.00 1.22 0.00 0.00 56.10 59.74 1sm9 s TRP 83 Cb -0.26 -3.01 1.33 0.00 -1.50 0.00 0.00 33.47 30.03 1sm9 s TRP 83 CO 0.30 -1.67 1.88 -0.91 -4.62 0.00 0.00 176.95 171.93 1sm9 h ASN 84 N -1.03 0.15 0.65 5.86 2.35 -1.90 -1.97 115.58 119.69 1sm9 h ASN 84 Ca -0.45 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1sm9 h ASN 84 Cb 1.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.59 1sm9 h ASN 84 CO 0.55 0.06 0.00 0.59 -1.65 0.00 0.00 177.43 176.97 1sm9 n ASN 85 N -4.37 0.00 -1.56 5.81 4.13 -1.26 -1.19 115.26 116.83 1sm9 n ASN 85 Ca 0.18 0.14 -0.12 0.00 1.68 0.00 0.00 54.58 56.47 1sm9 n ASN 85 Cb 0.84 -0.37 0.18 0.00 -1.54 0.00 0.00 39.78 38.90 1sm9 n ASN 85 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sm9 n TYR 86 N -1.37 1.81 0.09 3.10 4.01 -0.74 -3.89 117.16 120.16 1sm9 n TYR 86 Ca 0.10 -1.76 -0.05 0.00 -0.16 0.00 0.00 57.90 56.03 1sm9 n TYR 86 Cb 0.25 -0.66 -0.03 0.00 -0.31 0.00 0.00 39.34 38.59 1sm9 n TYR 86 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sm9 h HIS 87 N 1.08 0.00 -2.38 -0.72 3.86 -1.75 -3.31 115.15 111.92 1sm9 h HIS 87 Ca 0.37 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 59.02 1sm9 h HIS 87 Cb 1.99 0.00 0.05 0.00 1.06 0.00 0.00 27.41 30.50 1sm9 h HIS 87 CO 1.23 0.87 0.95 -3.47 0.86 0.00 0.00 177.93 178.37 1sm9 n ASP 88 N -3.48 3.56 -0.32 2.45 -0.08 -1.26 -4.28 116.55 113.14 1sm9 n ASP 88 Ca -0.00 1.04 0.19 0.00 -1.51 0.00 0.00 54.79 54.51 1sm9 n ASP 88 Cb 0.84 -1.48 0.40 0.00 2.34 0.00 0.00 41.12 43.21 1sm9 n ASP 88 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sm9 h PRO 89 N 7.09 0.30 0.00 -0.67 0.11 -1.86 0.24 132.00 137.21 1sm9 h PRO 89 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1sm9 h PRO 89 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1sm9 h PRO 89 CO 0.92 0.20 0.00 0.36 -0.21 0.00 0.00 178.00 179.27 1sm9 n LYS 90 N -5.10 0.01 0.00 1.05 2.85 -1.26 -2.52 118.16 113.20 1sm9 n LYS 90 Ca 0.27 0.34 0.04 0.00 -1.05 0.00 0.00 58.31 57.91 1sm9 n LYS 90 Cb 0.85 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 33.66 1sm9 n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1sm9 n ASN 91 N -1.55 0.51 0.19 -5.58 3.02 0.83 -4.69 115.26 107.99 1sm9 n ASN 91 Ca 0.02 -0.76 -0.15 0.00 -0.03 0.00 0.00 54.58 53.67 1sm9 n ASN 91 Cb 0.12 0.92 -0.07 0.00 -0.61 0.00 0.00 39.78 40.14 1sm9 n ASN 91 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1sm9 h VAL 92 N 0.15 0.60 -0.57 2.41 2.07 -1.20 -2.02 116.25 117.70 1sm9 h VAL 92 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1sm9 h VAL 92 Cb 0.22 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1sm9 h VAL 92 CO 0.00 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 177.89 1sm9 h GLU 93 N -0.48 0.69 -0.03 1.57 4.81 -1.85 -0.71 114.58 118.58 1sm9 h GLU 93 Ca -0.03 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1sm9 h GLU 93 Cb 0.40 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1sm9 h GLU 93 CO 0.03 0.46 -0.11 1.15 -0.73 0.00 0.00 179.01 179.81 1sm9 h THR 94 N 0.71 0.72 -0.32 0.32 2.02 -1.75 0.19 112.91 114.81 1sm9 h THR 94 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 1sm9 h THR 94 Cb -0.00 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1sm9 h THR 94 CO -0.05 0.00 0.17 0.00 0.37 0.00 0.00 175.52 176.01 1sm9 h ALA 95 N 0.84 0.40 -0.68 6.16 0.00 -0.69 -2.07 119.26 123.22 1sm9 h ALA 95 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1sm9 h ALA 95 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1sm9 h ALA 95 CO -0.13 -0.07 0.30 1.25 0.00 0.00 0.00 179.25 180.60 1sm9 h LEU 96 N 0.39 0.89 -0.80 0.00 5.85 -0.80 -1.82 115.31 119.03 1sm9 h LEU 96 Ca 0.11 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1sm9 h LEU 96 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1sm9 h LEU 96 CO -0.02 0.77 0.16 0.78 -0.34 0.00 0.00 178.44 179.79 1sm9 h ASN 97 N 0.97 1.00 -0.34 1.25 2.35 -0.36 0.15 115.58 120.59 1sm9 h ASN 97 Ca 0.23 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1sm9 h ASN 97 Cb 0.14 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1sm9 h ASN 97 CO -0.03 0.97 0.14 0.50 -1.65 0.00 0.00 177.43 177.37 1sm9 h LYS 98 N 1.01 0.30 -0.39 0.81 1.63 -0.87 0.19 116.57 119.24 1sm9 h LYS 98 Ca 0.21 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1sm9 h LYS 98 Cb 0.36 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.91 1sm9 h LYS 98 CO 0.00 0.20 0.25 1.15 -3.45 0.00 0.00 179.45 177.59 1sm9 h THR 99 N 0.31 1.12 -0.73 1.00 2.02 -0.65 -0.49 112.91 115.49 1sm9 h THR 99 Ca 0.15 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 1sm9 h THR 99 Cb 0.10 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 1sm9 h THR 99 CO -0.13 0.12 0.29 -0.07 0.37 0.00 0.00 175.52 176.10 1sm9 h LEU 100 N 0.52 0.99 -0.24 2.58 3.38 -0.25 0.02 115.31 122.32 1sm9 h LEU 100 Ca 0.14 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1sm9 h LEU 100 Cb -0.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1sm9 h LEU 100 CO -0.03 0.88 -0.11 0.00 0.09 0.00 0.00 178.44 179.27 1sm9 h ALA 101 N 1.27 0.33 -0.48 1.53 0.00 -0.35 0.96 119.26 122.52 1sm9 h ALA 101 Ca 0.25 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1sm9 h ALA 101 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1sm9 h ALA 101 CO -0.02 0.18 0.03 -0.44 0.00 0.00 0.00 179.25 179.00 1sm9 h ASP 102 N 0.21 0.81 1.30 0.00 3.32 -0.91 -2.78 116.42 118.37 1sm9 h ASP 102 Ca 0.05 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1sm9 h ASP 102 Cb 0.60 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1sm9 h ASP 102 CO 0.03 0.90 0.00 -0.07 -1.72 0.00 0.00 179.24 178.38 1sm9 h LEU 103 N 0.69 0.00 -1.66 1.55 3.38 -0.95 -3.32 115.31 115.00 1sm9 h LEU 103 Ca 0.14 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.83 1sm9 h LEU 103 Cb 0.47 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.36 1sm9 h LEU 103 CO 0.02 0.00 -0.65 0.29 0.09 0.00 0.00 178.44 178.18 1sm9 n LYS 104 N -2.36 -5.72 -4.16 1.13 5.02 0.28 -4.56 118.16 107.79 1sm9 n LYS 104 Ca 0.04 0.73 -0.10 0.00 -2.02 0.00 0.00 58.31 56.96 1sm9 n LYS 104 Cb 0.38 -5.38 -0.10 0.00 -0.02 0.00 0.00 35.03 29.91 1sm9 n LYS 104 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1sm9 s VAL 105 N -3.31 0.07 -0.16 -0.18 -7.23 -0.88 -5.04 120.40 103.67 1sm9 s VAL 105 Ca 0.02 -1.93 0.17 0.00 -1.81 0.00 0.00 61.98 58.44 1sm9 s VAL 105 Cb -0.01 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1sm9 s VAL 105 CO 0.62 -0.33 1.06 0.44 -0.31 0.00 0.00 175.10 176.58 1sm9 h ASP 106 N 2.79 0.00 -5.20 4.85 3.32 -1.96 -3.43 116.42 116.80 1sm9 h ASP 106 Ca -0.35 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.62 1sm9 h ASP 106 Cb 1.21 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 1sm9 h ASP 106 CO 0.57 0.44 -0.23 -0.72 -1.72 0.00 0.00 179.24 177.58 1sm9 s TYR 107 N -3.02 0.21 0.05 4.55 1.13 -1.26 -4.65 117.35 114.36 1sm9 s TYR 107 Ca -0.00 -0.57 0.08 0.00 -1.41 0.00 0.00 57.07 55.16 1sm9 s TYR 107 Cb 0.08 0.07 -0.03 0.00 -1.10 0.00 0.00 41.96 40.98 1sm9 s TYR 107 CO 0.78 -0.74 -0.19 0.14 -2.51 0.00 0.00 175.55 173.03 1sm9 s VAL 108 N -3.92 2.72 0.20 -3.49 -7.23 -0.83 -4.99 120.40 102.87 1sm9 s VAL 108 Ca 0.13 -1.27 -0.01 0.00 -1.81 0.00 0.00 61.98 59.03 1sm9 s VAL 108 Cb 0.02 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.74 1sm9 s VAL 108 CO -0.03 0.30 1.50 0.44 -0.31 0.00 0.00 175.10 177.00 1sm9 h ASP 109 N 4.43 0.49 -3.45 4.85 3.32 -1.58 -2.07 116.42 122.40 1sm9 h ASP 109 Ca -0.48 -0.28 -0.29 0.00 0.02 0.00 0.00 57.03 56.00 1sm9 h ASP 109 Cb 1.16 -0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.23 1sm9 h ASP 109 CO 0.47 0.98 -0.69 -0.22 -1.72 0.00 0.00 179.24 178.06 1sm9 s LEU 110 N -8.13 0.82 -0.13 1.55 2.96 -0.87 -0.92 118.68 113.94 1sm9 s LEU 110 Ca -0.06 0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1sm9 s LEU 110 Cb 0.11 0.06 0.02 0.00 0.50 0.00 0.00 46.19 46.89 1sm9 s LEU 110 CO 0.83 -0.15 -0.11 0.12 -1.32 0.00 0.00 176.35 175.72 1sm9 s PHE 111 N 1.28 1.85 0.13 5.38 5.36 -0.83 -0.72 117.98 130.43 1sm9 s PHE 111 Ca -0.07 -1.00 0.07 0.00 -0.96 0.00 0.00 56.93 54.97 1sm9 s PHE 111 Cb -0.12 -1.43 -0.04 0.00 -0.34 0.00 0.00 43.02 41.09 1sm9 s PHE 111 CO -0.04 -0.60 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.56 1sm9 s LEU 112 N 1.59 3.18 -0.46 6.12 1.43 -0.72 -2.12 118.68 127.70 1sm9 s LEU 112 Ca 0.05 -0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 52.47 1sm9 s LEU 112 Cb -0.13 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1sm9 s LEU 112 CO -0.10 0.14 1.22 -0.63 0.23 0.00 0.00 176.35 177.21 1sm9 s ILE 113 N -1.46 4.11 0.19 -0.59 1.01 -0.85 -0.24 121.20 123.37 1sm9 s ILE 113 Ca 0.24 1.13 -0.13 0.00 0.00 0.00 0.00 60.65 61.90 1sm9 s ILE 113 Cb -0.10 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 38.01 1sm9 s ILE 113 CO 0.16 -0.94 1.69 -0.74 0.00 0.00 0.00 174.94 175.11 1sm9 h HIS 114 N 9.67 0.03 -3.40 3.97 2.76 -1.72 -1.41 115.15 125.05 1sm9 h HIS 114 Ca -0.24 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 57.82 1sm9 h HIS 114 Cb 1.07 0.06 -0.21 0.00 1.55 0.00 0.00 27.41 29.89 1sm9 h HIS 114 CO 0.98 -0.09 -0.45 -0.06 -1.30 0.00 0.00 177.93 177.01 1sm9 s PHE 115 N -6.16 -0.02 -1.38 5.26 0.08 -1.26 -4.27 117.98 110.23 1sm9 s PHE 115 Ca -0.13 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 56.84 1sm9 s PHE 115 Cb 0.16 -0.01 -0.08 0.00 -0.57 0.00 0.00 43.02 42.52 1sm9 s PHE 115 CO 0.73 -0.28 2.98 -0.35 -0.10 0.00 0.00 175.22 178.19 1sm9 n PRO 116 N 1.60 3.59 -3.82 0.24 -0.04 -1.26 -4.76 135.00 130.55 1sm9 n PRO 116 Ca -0.21 -2.21 -0.13 0.00 -0.04 0.00 0.00 63.50 60.91 1sm9 n PRO 116 Cb 0.56 -2.67 -0.15 0.00 -0.04 0.00 0.00 33.50 31.20 1sm9 n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sm9 s ILE 117 N 1.57 -0.03 -0.38 0.52 1.01 -1.26 -5.04 121.20 117.60 1sm9 s ILE 117 Ca 0.68 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.46 1sm9 s ILE 117 Cb 0.20 -0.07 0.11 0.00 0.01 0.00 0.00 42.46 42.71 1sm9 s ILE 117 CO -0.06 0.04 0.11 0.00 0.00 0.00 0.00 174.94 175.03 1sm9 s ALA 118 N 0.54 3.01 0.53 9.38 0.00 -1.26 -4.55 121.76 129.40 1sm9 s ALA 118 Ca -0.04 -2.66 -0.17 0.00 0.00 0.00 0.00 51.96 49.09 1sm9 s ALA 118 Cb -0.06 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.92 1sm9 s ALA 118 CO -0.02 -1.76 1.01 -0.06 0.00 0.00 0.00 175.76 174.93 1sm9 s PHE 119 N 0.75 3.27 0.32 0.00 0.08 -0.33 -1.30 117.98 120.77 1sm9 s PHE 119 Ca 0.12 1.50 -0.29 0.00 0.12 0.00 0.00 56.93 58.37 1sm9 s PHE 119 Cb -0.20 -2.88 -0.11 0.00 -0.57 0.00 0.00 43.02 39.25 1sm9 s PHE 119 CO -0.06 -0.61 1.55 1.17 -0.10 0.00 0.00 175.22 177.16 1sm9 n LYS 120 N -1.63 2.67 -1.70 0.44 4.81 0.78 -4.19 118.16 119.33 1sm9 n LYS 120 Ca 0.07 0.94 -0.43 0.00 -0.87 0.00 0.00 58.31 58.03 1sm9 n LYS 120 Cb 0.54 -2.70 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1sm9 n LYS 120 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1sm9 n PHE 121 N 1.48 2.39 -3.89 5.64 7.35 -1.25 -4.76 117.46 124.42 1sm9 n PHE 121 Ca 0.06 0.45 -0.28 0.00 -0.76 0.00 0.00 57.45 56.92 1sm9 n PHE 121 Cb 0.37 -2.47 -0.17 0.00 0.35 0.00 0.00 39.48 37.57 1sm9 n PHE 121 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1sm9 s VAL 122 N -0.54 1.07 0.34 -2.13 1.01 -1.26 -4.85 120.40 114.04 1sm9 s VAL 122 Ca 0.61 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1sm9 s VAL 122 Cb -0.58 -1.20 -0.13 0.00 0.00 0.00 0.00 36.38 34.48 1sm9 s VAL 122 CO 0.55 0.21 1.04 -2.65 0.00 0.00 0.00 175.10 174.25 1sm9 n PRO 123 N 4.90 1.46 -0.08 2.72 -0.02 -1.26 -4.87 135.00 137.85 1sm9 n PRO 123 Ca -0.12 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 61.94 1sm9 n PRO 123 Cb 0.49 -1.98 0.42 0.00 -0.02 0.00 0.00 33.50 32.41 1sm9 n PRO 123 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sm9 h ILE 124 N 1.90 1.02 0.00 4.25 2.04 -2.00 -1.47 117.51 123.25 1sm9 h ILE 124 Ca -0.42 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.24 1sm9 h ILE 124 Cb 1.33 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1sm9 h ILE 124 CO 0.59 0.11 0.00 1.05 0.00 0.00 0.00 178.15 179.90 1sm9 h GLU 125 N 0.59 0.00 0.17 2.37 9.09 -2.01 -3.15 114.58 121.64 1sm9 h GLU 125 Ca 0.24 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.31 1sm9 h GLU 125 Cb 0.21 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.31 1sm9 h GLU 125 CO -0.07 0.00 -1.70 0.93 0.05 0.00 0.00 179.01 178.23 1sm9 h GLU 126 N 0.00 0.37 -1.73 1.06 5.08 -1.62 -3.47 114.58 114.27 1sm9 h GLU 126 Ca 0.00 -0.63 0.08 0.00 -1.00 0.00 0.00 59.36 57.81 1sm9 h GLU 126 Cb 0.43 0.23 -0.24 0.00 0.50 0.00 0.00 28.75 29.67 1sm9 h GLU 126 CO 0.00 1.27 0.17 0.21 -1.00 0.00 0.00 179.01 179.67 1sm9 s LYS 127 N -2.59 0.53 -0.21 2.33 2.20 -1.18 -5.08 119.74 115.74 1sm9 s LYS 127 Ca -0.14 0.98 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 1sm9 s LYS 127 Cb 0.06 0.20 0.08 0.00 -1.51 0.00 0.00 37.83 36.65 1sm9 s LYS 127 CO 0.86 -0.12 0.50 -0.47 -0.36 0.00 0.00 175.35 175.75 1sm9 s TYR 128 N 1.69 -0.82 0.47 4.03 5.04 -1.25 -3.76 117.35 122.75 1sm9 s TYR 128 Ca -0.09 1.63 -0.21 0.00 -2.44 0.00 0.00 57.07 55.96 1sm9 s TYR 128 Cb -0.05 0.41 -0.09 0.00 0.35 0.00 0.00 41.96 42.58 1sm9 s TYR 128 CO -0.18 -0.45 1.02 -1.25 -1.34 0.00 0.00 175.55 173.36 1sm9 s PRO 129 N 1.89 3.89 0.41 4.97 0.04 -1.26 -5.07 135.00 139.86 1sm9 s PRO 129 Ca -0.07 1.33 0.22 0.00 0.04 0.00 0.00 61.00 62.52 1sm9 s PRO 129 Cb -0.09 -2.14 0.69 0.00 0.04 0.00 0.00 34.50 33.01 1sm9 s PRO 129 CO -0.15 -0.35 1.73 -1.00 0.04 0.00 0.00 177.00 177.27 1sm9 h PRO 130 N 1.68 0.00 0.00 0.56 0.13 -1.92 -3.49 132.00 128.96 1sm9 h PRO 130 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sm9 h PRO 130 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sm9 h PRO 130 CO 0.60 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1sm9 n GLY 131 N 0.48 3.46 0.25 1.56 0.00 -1.26 -1.10 105.19 108.58 1sm9 n GLY 131 Ca 0.01 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1sm9 n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sm9 n PHE 132 N 14.00 0.05 -2.11 1.61 3.72 -1.26 -4.87 117.46 128.60 1sm9 n PHE 132 Ca 0.00 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 56.95 1sm9 n PHE 132 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1sm9 n PHE 132 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1sm9 s TYR 133 N -1.95 2.91 -0.16 1.38 5.04 -0.26 -4.81 117.35 119.51 1sm9 s TYR 133 Ca 0.37 0.73 0.17 0.00 -2.44 0.00 0.00 57.07 55.90 1sm9 s TYR 133 Cb 0.18 -3.77 0.35 0.00 0.35 0.00 0.00 41.96 39.08 1sm9 s TYR 133 CO 0.30 -2.85 1.20 0.00 -1.34 0.00 0.00 175.55 172.86 1sm9 n GLY 135 N -1.28 0.58 2.51 0.00 0.00 -1.26 -4.61 105.19 101.14 1sm9 n GLY 135 Ca 0.18 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1sm9 n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sm9 n ASP 136 N 0.17 -1.62 0.00 1.61 2.03 -1.26 -5.11 116.55 112.37 1sm9 n ASP 136 Ca 0.00 -2.82 0.00 0.00 0.52 0.00 0.00 54.79 52.49 1sm9 n ASP 136 Cb 0.00 0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 1sm9 n ASP 136 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sm9 n GLY 137 N 2.17 3.18 0.61 0.27 0.00 -1.26 -1.66 105.19 108.49 1sm9 n GLY 137 Ca 0.19 -0.23 0.10 0.00 0.00 0.00 0.00 46.02 46.09 1sm9 n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sm9 n ASN 138 N 2.62 1.81 -4.76 1.61 3.02 -1.26 -4.61 115.26 113.69 1sm9 n ASN 138 Ca 0.00 -1.77 -0.39 0.00 -0.03 0.00 0.00 54.58 52.39 1sm9 n ASN 138 Cb 0.00 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 38.97 1sm9 n ASN 138 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1sm9 s ASN 139 N -1.46 7.46 -0.03 6.41 0.01 -0.67 -5.01 114.94 121.64 1sm9 s ASN 139 Ca 0.31 1.95 -0.24 0.00 -0.71 0.00 0.00 52.86 54.17 1sm9 s ASN 139 Cb 0.17 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 1sm9 s ASN 139 CO 0.25 0.02 0.73 -0.36 -1.51 0.00 0.00 177.10 176.22 1sm9 s PHE 140 N -1.35 3.62 -0.02 2.20 0.40 -1.26 -4.14 117.98 117.42 1sm9 s PHE 140 Ca 0.45 1.33 0.03 0.00 -0.60 0.00 0.00 56.93 58.14 1sm9 s PHE 140 Cb -0.24 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.48 1sm9 s PHE 140 CO 0.30 0.14 -0.09 0.08 0.70 0.00 0.00 175.22 176.35 1sm9 s VAL 141 N 0.56 0.77 0.28 -0.44 1.01 -1.26 -5.06 120.40 116.27 1sm9 s VAL 141 Ca 0.38 -0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.10 1sm9 s VAL 141 Cb -0.19 -0.68 -0.05 0.00 0.00 0.00 0.00 36.38 35.46 1sm9 s VAL 141 CO 0.20 0.24 -0.10 -0.31 0.00 0.00 0.00 175.10 175.13 1sm9 s TYR 142 N 0.12 2.49 0.04 5.22 2.02 -1.26 -0.16 117.35 125.82 1sm9 s TYR 142 Ca -0.02 -0.30 0.07 0.00 -0.37 0.00 0.00 57.07 56.45 1sm9 s TYR 142 Cb -0.08 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.33 1sm9 s TYR 142 CO 0.00 0.65 -0.19 -1.83 -1.57 0.00 0.00 175.55 172.62 1sm9 s GLU 143 N -3.60 1.24 -1.16 -0.62 -1.05 -0.42 -4.53 118.70 108.56 1sm9 s GLU 143 Ca 0.31 -0.89 -0.19 0.00 -0.15 0.00 0.00 54.97 54.05 1sm9 s GLU 143 Cb -0.05 -1.32 -0.04 0.00 -0.44 0.00 0.00 34.13 32.28 1sm9 s GLU 143 CO 0.18 0.33 1.98 -0.25 0.95 0.00 0.00 175.26 178.45 1sm9 n ASP 144 N 1.84 3.51 -4.07 0.83 8.00 -1.26 -4.75 116.55 120.65 1sm9 n ASP 144 Ca -0.17 -2.78 -0.32 0.00 0.71 0.00 0.00 54.79 52.23 1sm9 n ASP 144 Cb 0.54 -1.52 -0.15 0.00 -0.02 0.00 0.00 41.12 39.97 1sm9 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sm9 s VAL 145 N 5.51 2.31 0.59 2.53 1.01 -1.26 -5.10 120.40 126.00 1sm9 s VAL 145 Ca 0.56 -1.81 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 1sm9 s VAL 145 Cb 0.09 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1sm9 s VAL 145 CO 0.05 -0.21 1.31 -2.84 0.00 0.00 0.00 175.10 173.42 1sm9 s PRO 146 N 1.06 2.89 0.17 2.72 0.02 -1.26 -4.89 135.00 135.70 1sm9 s PRO 146 Ca -0.03 2.12 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 1sm9 s PRO 146 Cb -0.20 -2.06 0.10 0.00 0.02 0.00 0.00 34.50 32.37 1sm9 s PRO 146 CO -0.05 -1.35 1.66 0.82 -0.33 0.00 0.00 177.00 177.74 1sm9 h ILE 147 N 1.02 0.54 -0.93 2.83 2.04 -1.98 -2.23 117.51 118.81 1sm9 h ILE 147 Ca -0.51 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.52 1sm9 h ILE 147 Cb 1.31 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 1sm9 h ILE 147 CO 0.55 0.00 0.60 0.25 0.00 0.00 0.00 178.15 179.55 1sm9 h LEU 148 N -0.03 0.62 -0.29 1.44 5.85 -1.98 0.31 115.31 121.23 1sm9 h LEU 148 Ca 0.20 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1sm9 h LEU 148 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1sm9 h LEU 148 CO -0.44 0.27 0.15 -0.33 -0.34 0.00 0.00 178.44 177.75 1sm9 h GLU 149 N 0.63 0.31 -0.67 1.25 5.08 -1.76 0.61 114.58 120.02 1sm9 h GLU 149 Ca 0.49 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 1sm9 h GLU 149 Cb 0.90 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1sm9 h GLU 149 CO -0.24 0.20 0.34 1.15 -1.00 0.00 0.00 179.01 179.47 1sm9 h THR 150 N 0.32 1.22 -0.74 1.13 2.02 -0.39 -2.45 112.91 114.02 1sm9 h THR 150 Ca 0.12 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1sm9 h THR 150 Cb 0.02 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 1sm9 h THR 150 CO -0.07 0.24 0.37 -0.25 0.37 0.00 0.00 175.52 176.19 1sm9 h TRP 151 N 0.92 1.03 -0.57 3.16 2.91 -0.46 -1.64 115.95 121.29 1sm9 h TRP 151 Ca 0.23 -0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.12 1sm9 h TRP 151 Cb 0.08 -0.33 -0.02 0.00 -0.51 0.00 0.00 29.16 28.38 1sm9 h TRP 151 CO -0.00 0.74 -0.02 0.87 -1.03 0.00 0.00 178.44 178.99 1sm9 h LYS 152 N 1.04 1.00 -0.64 2.65 1.57 -0.49 0.93 116.57 122.62 1sm9 h LYS 152 Ca 0.26 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1sm9 h LYS 152 Cb 0.08 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1sm9 h LYS 152 CO -0.04 0.99 0.43 0.00 -0.57 0.00 0.00 179.45 180.26 1sm9 h ALA 153 N 1.06 1.54 -0.35 3.86 0.00 -0.94 -1.12 119.26 123.31 1sm9 h ALA 153 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 1sm9 h ALA 153 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1sm9 h ALA 153 CO 0.03 0.43 -0.45 -0.07 0.00 0.00 0.00 179.25 179.19 1sm9 h LEU 154 N 0.87 0.99 -1.04 0.00 3.38 -0.37 -2.77 115.31 116.38 1sm9 h LEU 154 Ca 0.24 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1sm9 h LEU 154 Cb -0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 1sm9 h LEU 154 CO -0.05 1.28 0.44 -0.33 0.09 0.00 0.00 178.44 179.87 1sm9 h GLU 155 N 0.73 1.11 -0.81 1.13 5.08 0.25 -1.72 114.58 120.36 1sm9 h GLU 155 Ca 0.04 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1sm9 h GLU 155 Cb 1.05 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1sm9 h GLU 155 CO 0.11 0.81 0.38 0.87 -1.00 0.00 0.00 179.01 180.18 1sm9 h LYS 156 N 1.12 1.16 0.00 2.33 1.57 -1.12 -1.54 116.57 120.09 1sm9 h LYS 156 Ca 0.28 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1sm9 h LYS 156 Cb 0.02 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1sm9 h LYS 156 CO -0.05 0.89 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.61 1sm9 h LEU 157 N 1.15 0.00 -0.04 2.94 3.38 -1.07 0.06 115.31 121.73 1sm9 h LEU 157 Ca 0.28 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.99 1sm9 h LEU 157 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sm9 h LEU 157 CO -0.03 0.05 -1.08 0.58 0.09 0.00 0.00 178.44 178.05 1sm9 h VAL 158 N 0.00 1.38 -0.57 1.22 2.07 -0.46 -1.84 116.25 118.05 1sm9 h VAL 158 Ca -0.00 -2.54 -0.09 0.00 0.82 0.00 0.00 66.70 64.89 1sm9 h VAL 158 Cb 0.51 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1sm9 h VAL 158 CO 0.01 0.76 -0.00 0.00 0.02 0.00 0.00 177.57 178.35 1sm9 h ALA 159 N 0.58 0.91 0.00 1.67 0.00 -0.67 -2.00 119.26 119.75 1sm9 h ALA 159 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1sm9 h ALA 159 Cb 1.74 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1sm9 h ALA 159 CO 0.19 0.65 0.00 0.00 0.00 0.00 0.00 179.25 180.09 1sm9 n ALA 160 N -2.48 1.59 -0.38 0.00 0.00 -0.07 -4.87 120.51 114.30 1sm9 n ALA 160 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1sm9 n ALA 160 Cb 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1sm9 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 161 N -0.15 0.76 0.06 0.00 0.00 -0.75 -4.96 105.19 100.15 1sm9 n GLY 161 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1sm9 n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sm9 n LYS 162 N -2.23 0.16 -3.81 1.61 5.02 -0.71 -4.68 118.16 113.52 1sm9 n LYS 162 Ca 0.00 0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1sm9 n LYS 162 Cb 0.00 -1.66 -0.14 0.00 -0.02 0.00 0.00 35.03 33.21 1sm9 n LYS 162 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sm9 s ILE 163 N -3.07 -0.02 -0.15 -0.18 1.01 -1.20 -1.96 121.20 115.64 1sm9 s ILE 163 Ca 0.11 0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 1sm9 s ILE 163 Cb 0.15 -0.14 -0.18 0.00 0.01 0.00 0.00 42.46 42.30 1sm9 s ILE 163 CO 0.61 0.03 0.42 0.11 0.00 0.00 0.00 174.94 176.11 1sm9 h LYS 164 N 6.46 0.00 -5.33 2.79 1.79 -1.43 -3.40 116.57 117.45 1sm9 h LYS 164 Ca -0.31 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.72 1sm9 h LYS 164 Cb 1.18 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.59 1sm9 h LYS 164 CO 0.45 0.74 -0.79 -1.12 -1.08 0.00 0.00 179.45 177.66 1sm9 s SER 165 N -6.22 1.66 0.13 0.86 0.01 -0.10 -5.02 113.70 105.02 1sm9 s SER 165 Ca -0.18 -0.51 0.10 0.00 1.31 0.00 0.00 55.95 56.67 1sm9 s SER 165 Cb 0.00 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.11 1sm9 s SER 165 CO 0.51 -0.00 -0.23 0.27 0.41 0.00 0.00 173.24 174.19 1sm9 s ILE 166 N -0.99 2.01 0.00 1.44 -4.36 -1.26 -1.97 121.20 116.06 1sm9 s ILE 166 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1sm9 s ILE 166 Cb -0.09 -1.82 0.00 0.00 1.25 0.00 0.00 42.46 41.80 1sm9 s ILE 166 CO 0.02 -0.04 0.00 0.61 0.24 0.00 0.00 174.94 175.77 1sm9 n GLY 167 N 0.83 2.87 3.23 6.27 0.00 -0.90 -0.32 105.19 117.17 1sm9 n GLY 167 Ca -0.17 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1sm9 n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm9 s VAL 168 N -2.60 0.85 0.01 1.61 -7.23 -0.12 -2.00 120.40 110.90 1sm9 s VAL 168 Ca 0.00 -1.99 0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1sm9 s VAL 168 Cb 0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 1sm9 s VAL 168 CO 0.00 -0.66 -0.07 -0.55 -0.31 0.00 0.00 175.10 173.51 1sm9 s SER 169 N -3.14 0.83 -1.37 4.85 0.15 -0.53 -1.83 113.70 112.66 1sm9 s SER 169 Ca 0.19 -0.24 -0.06 0.00 0.70 0.00 0.00 55.95 56.54 1sm9 s SER 169 Cb 0.05 -0.06 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 1sm9 s SER 169 CO 0.01 0.01 0.75 0.59 1.20 0.00 0.00 173.24 175.80 1sm9 n ASN 170 N 2.51 -5.88 -4.61 5.45 3.02 -0.15 -4.10 115.26 111.51 1sm9 n ASN 170 Ca -0.16 -0.35 -0.35 0.00 -0.03 0.00 0.00 54.58 53.70 1sm9 n ASN 170 Cb 0.57 -4.63 -0.10 0.00 -0.61 0.00 0.00 39.78 35.01 1sm9 n ASN 170 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1sm9 s PHE 171 N -3.19 3.23 0.84 3.10 0.40 -1.26 -4.47 117.98 116.63 1sm9 s PHE 171 Ca 0.37 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.60 1sm9 s PHE 171 Cb -0.16 -2.11 0.10 0.00 0.51 0.00 0.00 43.02 41.36 1sm9 s PHE 171 CO 0.46 0.08 1.20 -2.14 0.70 0.00 0.00 175.22 175.52 1sm9 s PRO 172 N 0.57 1.67 0.17 0.24 0.02 -1.26 -4.81 135.00 131.59 1sm9 s PRO 172 Ca 0.03 0.05 -0.15 0.00 0.02 0.00 0.00 61.00 60.95 1sm9 s PRO 172 Cb -0.13 -1.92 0.11 0.00 0.02 0.00 0.00 34.50 32.58 1sm9 s PRO 172 CO 0.01 -1.79 1.72 0.78 -0.33 0.00 0.00 177.00 177.39 1sm9 h GLY 173 N -1.20 0.44 0.53 0.52 0.00 -1.98 -1.73 103.07 99.66 1sm9 h GLY 173 Ca -0.46 0.00 0.09 0.00 0.00 0.00 0.00 47.33 46.96 1sm9 h GLY 173 CO 0.61 -0.06 0.39 0.00 0.00 0.00 0.00 176.54 177.48 1sm9 h ALA 174 N 1.32 1.00 -0.24 3.60 0.00 -1.99 0.41 119.26 123.36 1sm9 h ALA 174 Ca 0.19 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1sm9 h ALA 174 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sm9 h ALA 174 CO -0.28 0.01 -0.32 1.25 0.00 0.00 0.00 179.25 179.91 1sm9 h LEU 175 N 0.67 0.70 -0.52 0.00 5.85 -1.88 -2.20 115.31 117.92 1sm9 h LEU 175 Ca 0.35 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1sm9 h LEU 175 Cb 0.32 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1sm9 h LEU 175 CO -0.24 1.06 0.27 0.25 -0.34 0.00 0.00 178.44 179.44 1sm9 h LEU 176 N 0.35 0.67 0.11 2.25 5.85 -0.89 -1.04 115.31 122.61 1sm9 h LEU 176 Ca 0.03 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1sm9 h LEU 176 Cb 0.90 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1sm9 h LEU 176 CO 0.08 0.58 -0.38 0.25 -0.34 0.00 0.00 178.44 178.62 1sm9 h LEU 177 N 0.70 -1.13 -0.55 2.25 5.85 -0.87 0.03 115.31 121.58 1sm9 h LEU 177 Ca 0.18 0.13 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1sm9 h LEU 177 Cb 0.08 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1sm9 h LEU 177 CO -0.03 -0.46 0.21 -0.78 -0.34 0.00 0.00 178.44 177.04 1sm9 h ASP 178 N -0.61 0.23 -0.81 1.25 3.58 -1.21 -1.52 116.42 117.32 1sm9 h ASP 178 Ca 0.03 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1sm9 h ASP 178 Cb 0.65 0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.69 1sm9 h ASP 178 CO -0.23 0.15 0.53 0.25 -2.88 0.00 0.00 179.24 177.06 1sm9 h LEU 179 N 0.40 0.88 -2.84 2.28 5.85 -0.76 0.49 115.31 121.61 1sm9 h LEU 179 Ca 0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1sm9 h LEU 179 Cb 0.30 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1sm9 h LEU 179 CO -0.26 0.62 0.00 -0.07 -0.34 0.00 0.00 178.44 178.38 1sm9 h LEU 180 N 1.04 0.00 -0.52 2.25 3.38 0.03 -0.53 115.31 120.95 1sm9 h LEU 180 Ca 0.32 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 1sm9 h LEU 180 Cb -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1sm9 h LEU 180 CO -0.10 0.00 -0.73 0.03 0.09 0.00 0.00 178.44 177.73 1sm9 h ARG 181 N 0.00 0.00 -0.08 1.13 3.08 -0.47 -3.31 114.38 114.72 1sm9 h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sm9 h ARG 181 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1sm9 h ARG 181 CO -0.00 0.73 0.00 0.41 -1.07 0.00 0.00 179.97 180.04 1sm9 n GLY 182 N 0.59 0.38 3.74 0.04 0.00 -0.57 -5.02 105.19 104.35 1sm9 n GLY 182 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1sm9 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm9 s ALA 183 N -0.79 3.32 -0.18 4.61 0.00 -0.31 -4.95 121.76 123.46 1sm9 s ALA 183 Ca 0.12 0.36 -0.21 0.00 0.00 0.00 0.00 51.96 52.23 1sm9 s ALA 183 Cb 0.08 -3.08 -0.22 0.00 0.00 0.00 0.00 23.12 19.89 1sm9 s ALA 183 CO 0.11 0.01 0.35 1.15 0.00 0.00 0.00 175.76 177.38 1sm9 h THR 184 N 4.18 1.03 -3.73 0.00 2.02 -1.92 -3.43 112.91 111.06 1sm9 h THR 184 Ca -0.43 -2.24 -0.64 0.00 0.77 0.00 0.00 66.41 63.87 1sm9 h THR 184 Cb 1.21 2.47 -0.16 0.00 -1.74 0.00 0.00 68.15 69.93 1sm9 h THR 184 CO 0.72 0.45 -0.29 -0.63 0.37 0.00 0.00 175.52 176.14 1sm9 s ILE 185 N -2.37 5.19 0.24 3.11 1.01 -1.26 -5.04 121.20 122.07 1sm9 s ILE 185 Ca -0.26 0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1sm9 s ILE 185 Cb 0.04 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 1sm9 s ILE 185 CO 0.64 0.10 1.33 -0.75 0.00 0.00 0.00 174.94 176.26 1sm9 s LYS 186 N 2.02 4.37 -0.02 2.79 2.20 -1.26 -4.90 119.74 124.93 1sm9 s LYS 186 Ca 0.13 2.13 -0.33 0.00 -0.36 0.00 0.00 55.97 57.54 1sm9 s LYS 186 Cb -0.16 -3.15 -0.11 0.00 -1.51 0.00 0.00 37.83 32.89 1sm9 s LYS 186 CO 0.11 -0.26 1.86 -0.35 -0.36 0.00 0.00 175.35 176.35 1sm9 n PRO 187 N 2.16 2.34 0.21 4.03 -0.04 -1.26 -4.82 135.00 137.61 1sm9 n PRO 187 Ca 0.05 0.86 0.10 0.00 -0.04 0.00 0.00 63.50 64.46 1sm9 n PRO 187 Cb 0.42 -2.72 0.32 0.00 -0.04 0.00 0.00 33.50 31.49 1sm9 n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sm9 h ALA 188 N 9.02 0.93 -3.22 0.55 0.00 -1.02 -3.44 119.26 122.08 1sm9 h ALA 188 Ca -0.48 -0.19 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 1sm9 h ALA 188 Cb 1.26 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 1sm9 h ALA 188 CO 0.94 0.26 -0.64 0.08 0.00 0.00 0.00 179.25 179.89 1sm9 s VAL 189 N -3.39 0.05 -0.19 0.00 1.01 -1.25 -1.45 120.40 115.18 1sm9 s VAL 189 Ca 0.03 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1sm9 s VAL 189 Cb 0.08 -0.21 0.04 0.00 0.00 0.00 0.00 36.38 36.29 1sm9 s VAL 189 CO 0.66 -0.25 -0.12 -0.22 0.00 0.00 0.00 175.10 175.17 1sm9 s LEU 190 N -0.76 2.24 -0.26 3.92 2.96 0.54 -0.95 118.68 126.37 1sm9 s LEU 190 Ca -0.08 -0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 52.94 1sm9 s LEU 190 Cb -0.05 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.37 1sm9 s LEU 190 CO -0.00 -0.12 0.03 -1.58 -1.32 0.00 0.00 176.35 173.36 1sm9 s GLN 191 N 1.38 3.21 0.05 1.98 0.74 -0.76 -1.25 119.66 125.01 1sm9 s GLN 191 Ca -0.00 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.63 1sm9 s GLN 191 Cb -0.16 -3.22 -0.04 0.00 1.10 0.00 0.00 33.01 30.70 1sm9 s GLN 191 CO -0.09 -0.34 -0.01 0.14 -0.55 0.00 0.00 175.29 174.45 1sm9 s VAL 192 N 1.49 0.21 0.16 1.34 -7.23 -0.81 -0.98 120.40 114.58 1sm9 s VAL 192 Ca 0.04 -1.74 -0.32 0.00 -1.81 0.00 0.00 61.98 58.15 1sm9 s VAL 192 Cb -0.16 -1.49 -0.11 0.00 0.56 0.00 0.00 36.38 35.18 1sm9 s VAL 192 CO 0.00 -0.96 1.78 1.21 -0.31 0.00 0.00 175.10 176.82 1sm9 n GLU 193 N 0.11 2.76 -3.63 4.82 2.13 -1.26 -1.49 120.64 124.08 1sm9 n GLU 193 Ca -0.14 1.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.57 1sm9 n GLU 193 Cb 0.61 -2.87 -0.11 0.00 0.27 0.00 0.00 31.44 29.34 1sm9 n GLU 193 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1sm9 s HIS 194 N 1.95 -0.61 0.21 4.31 2.46 -0.81 -4.83 115.29 117.97 1sm9 s HIS 194 Ca 0.79 1.17 -0.23 0.00 0.47 0.00 0.00 55.06 57.25 1sm9 s HIS 194 Cb -0.50 0.10 0.05 0.00 -0.13 0.00 0.00 32.58 32.09 1sm9 s HIS 194 CO 0.35 -0.45 0.79 -3.38 -2.47 0.00 0.00 174.74 169.58 1sm9 s HIS 195 N 2.51 -0.22 0.64 3.88 -3.43 -1.20 -3.90 115.29 113.56 1sm9 s HIS 195 Ca 0.01 -0.14 0.30 0.00 -0.80 0.00 0.00 55.06 54.44 1sm9 s HIS 195 Cb -0.12 0.66 1.63 0.00 -1.43 0.00 0.00 32.58 33.32 1sm9 s HIS 195 CO -0.11 -1.02 1.95 -1.35 -2.00 0.00 0.00 174.74 172.21 1sm9 h PRO 196 N 2.00 0.00 0.00 -0.38 0.11 -1.93 0.40 132.00 132.21 1sm9 h PRO 196 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1sm9 h PRO 196 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sm9 h PRO 196 CO 0.26 0.00 -0.54 0.66 -0.21 0.00 0.00 178.00 178.17 1sm9 n TYR 197 N -3.17 0.54 -3.29 0.65 4.01 -1.26 -1.53 117.16 113.11 1sm9 n TYR 197 Ca 0.01 0.16 -0.24 0.00 -0.16 0.00 0.00 57.90 57.67 1sm9 n TYR 197 Cb 0.43 -0.65 -0.08 0.00 -0.31 0.00 0.00 39.34 38.72 1sm9 n TYR 197 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1sm9 n LEU 198 N -2.07 -0.83 0.12 7.72 7.94 0.12 -1.38 117.00 128.62 1sm9 n LEU 198 Ca 0.04 -4.21 0.02 0.00 -1.11 0.00 0.00 56.01 50.75 1sm9 n LEU 198 Cb 0.43 0.59 -0.00 0.00 0.53 0.00 0.00 43.42 44.96 1sm9 n LEU 198 CO 0.35 1.89 0.31 1.56 -1.11 0.00 0.00 177.39 180.39 1sm9 h GLN 199 N 5.39 0.00 -6.45 1.96 4.20 -1.75 -3.19 115.11 115.27 1sm9 h GLN 199 Ca 0.22 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.56 1sm9 h GLN 199 Cb 0.93 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.61 1sm9 h GLN 199 CO 0.33 0.47 -0.59 1.04 -0.67 0.00 0.00 178.83 179.41 1sm9 n GLN 200 N -3.15 -0.87 -0.25 1.46 6.02 -1.26 -4.78 117.38 114.53 1sm9 n GLN 200 Ca -0.00 0.00 0.22 0.00 -0.01 0.00 0.00 57.00 57.21 1sm9 n GLN 200 Cb 0.76 -1.93 0.55 0.00 1.02 0.00 0.00 30.24 30.64 1sm9 n GLN 200 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1sm9 h PRO 201 N -0.62 0.32 -0.12 -1.09 0.13 -1.99 -1.92 132.00 126.70 1sm9 h PRO 201 Ca -0.41 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.50 1sm9 h PRO 201 Cb 0.84 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1sm9 h PRO 201 CO 0.40 0.21 -0.76 0.87 -0.23 0.00 0.00 178.00 178.49 1sm9 h LYS 202 N 0.33 0.62 -0.19 0.86 1.57 -1.99 -1.33 116.57 116.43 1sm9 h LYS 202 Ca 0.49 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1sm9 h LYS 202 Cb 1.37 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.78 1sm9 h LYS 202 CO -0.17 1.13 0.01 1.25 -0.57 0.00 0.00 179.45 181.10 1sm9 h LEU 203 N 0.42 0.33 -0.45 2.94 5.85 -1.73 -0.62 115.31 122.05 1sm9 h LEU 203 Ca -0.04 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 58.44 1sm9 h LEU 203 Cb 1.36 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1sm9 h LEU 203 CO 0.15 0.54 0.18 0.40 -0.34 0.00 0.00 178.44 179.36 1sm9 h ILE 204 N 0.10 0.88 -0.10 4.05 1.08 -1.38 -0.38 117.51 121.77 1sm9 h ILE 204 Ca 0.06 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.40 1sm9 h ILE 204 Cb 0.37 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 1sm9 h ILE 204 CO 0.01 0.07 0.05 -0.08 -0.69 0.00 0.00 178.15 177.50 1sm9 h GLU 205 N 0.36 0.14 0.10 2.37 4.81 -1.10 -0.55 114.58 120.70 1sm9 h GLU 205 Ca 0.21 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.43 1sm9 h GLU 205 Cb 0.18 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1sm9 h GLU 205 CO -0.20 0.18 -0.15 0.35 -0.73 0.00 0.00 179.01 178.47 1sm9 h PHE 206 N 0.06 -0.39 -0.32 0.92 3.57 -0.78 -0.86 116.94 119.13 1sm9 h PHE 206 Ca 0.03 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 1sm9 h PHE 206 Cb 0.09 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1sm9 h PHE 206 CO -0.04 -0.23 0.15 0.00 -2.23 0.00 0.00 178.31 175.96 1sm9 h ALA 207 N 0.56 0.39 -0.40 2.41 0.00 -0.94 -0.89 119.26 120.39 1sm9 h ALA 207 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1sm9 h ALA 207 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sm9 h ALA 207 CO -0.08 -0.23 0.18 1.96 0.00 0.00 0.00 179.25 181.08 1sm9 h GLN 208 N 0.32 0.58 0.00 0.00 4.20 -0.99 -0.72 115.11 118.50 1sm9 h GLN 208 Ca 0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1sm9 h GLN 208 Cb 0.06 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 1sm9 h GLN 208 CO -0.10 0.53 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.35 1sm9 h LYS 209 N 0.50 0.00 -0.03 1.46 3.64 -0.83 0.96 116.57 122.26 1sm9 h LYS 209 Ca 0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1sm9 h LYS 209 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1sm9 h LYS 209 CO -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.18 1sm9 n ALA 210 N -2.34 2.61 -0.86 5.00 0.00 -0.37 -4.88 120.51 119.67 1sm9 n ALA 210 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1sm9 n ALA 210 Cb 0.10 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1sm9 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 211 N 1.00 0.63 3.77 0.00 0.00 0.33 -5.03 105.19 105.88 1sm9 n GLY 211 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1sm9 n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sm9 s VAL 212 N -2.27 5.03 -0.06 1.61 1.01 -0.55 -4.39 120.40 120.78 1sm9 s VAL 212 Ca 0.00 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.82 1sm9 s VAL 212 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1sm9 s VAL 212 CO 0.00 0.43 0.54 -0.89 0.00 0.00 0.00 175.10 175.18 1sm9 s THR 213 N -0.15 5.05 -0.04 3.92 2.01 -0.53 -3.72 115.64 122.18 1sm9 s THR 213 Ca 0.27 1.10 -0.18 0.00 0.31 0.00 0.00 61.69 63.20 1sm9 s THR 213 Cb -0.17 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1sm9 s THR 213 CO 0.14 0.38 0.49 -0.63 -0.69 0.00 0.00 174.62 174.30 1sm9 s ILE 214 N 0.16 5.04 -0.14 1.82 -1.09 -1.26 -0.34 121.20 125.39 1sm9 s ILE 214 Ca 0.29 1.00 0.02 0.00 -2.23 0.00 0.00 60.65 59.72 1sm9 s ILE 214 Cb -0.17 -3.81 0.01 0.00 -1.58 0.00 0.00 42.46 36.91 1sm9 s ILE 214 CO 0.14 0.44 -0.19 -0.89 -1.23 0.00 0.00 174.94 173.21 1sm9 s THR 215 N -0.22 1.89 0.10 2.92 2.01 -0.38 -0.54 115.64 121.40 1sm9 s THR 215 Ca 0.26 -0.86 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 1sm9 s THR 215 Cb -0.17 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.58 1sm9 s THR 215 CO 0.13 0.52 0.58 0.00 -0.69 0.00 0.00 174.62 175.16 1sm9 s ALA 216 N 1.02 3.57 0.18 7.40 0.00 0.78 -1.93 121.76 132.77 1sm9 s ALA 216 Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 51.96 52.07 1sm9 s ALA 216 Cb -0.15 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 1sm9 s ALA 216 CO -0.05 0.40 -0.22 1.52 0.00 0.00 0.00 175.76 177.41 1sm9 s TYR 217 N -1.18 2.10 -1.31 0.00 -0.85 -0.55 -4.01 117.35 111.54 1sm9 s TYR 217 Ca 0.31 -0.40 -0.05 0.00 -0.52 0.00 0.00 57.07 56.41 1sm9 s TYR 217 Cb -0.19 -1.04 0.01 0.00 0.38 0.00 0.00 41.96 41.12 1sm9 s TYR 217 CO 0.19 0.43 1.02 0.43 -1.52 0.00 0.00 175.55 176.10 1sm9 n SER 218 N 0.30 -3.74 0.32 -0.18 7.64 -1.26 -1.92 113.62 114.79 1sm9 n SER 218 Ca -0.13 -0.64 0.20 0.00 1.01 0.00 0.00 58.87 59.31 1sm9 n SER 218 Cb 0.56 -4.79 1.09 0.00 -1.01 0.00 0.00 64.21 60.06 1sm9 n SER 218 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1sm9 h SER 219 N -2.20 0.00 -0.55 6.43 0.02 -1.85 0.88 113.55 116.28 1sm9 h SER 219 Ca -0.59 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1sm9 h SER 219 Cb 1.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1sm9 h SER 219 CO 0.55 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.73 1sm9 n PHE 220 N -2.95 1.61 0.00 3.45 0.99 -1.26 -4.76 117.46 114.53 1sm9 n PHE 220 Ca -0.03 -0.59 0.00 0.00 -0.00 0.00 0.00 57.45 56.83 1sm9 n PHE 220 Cb 0.12 -0.35 0.00 0.00 -1.00 0.00 0.00 39.48 38.25 1sm9 n PHE 220 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1sm9 n GLY 221 N 0.81 3.54 0.24 1.37 0.00 0.30 -3.22 105.19 108.23 1sm9 n GLY 221 Ca 0.24 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.35 1sm9 n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm9 h PRO 222 N 0.00 0.00 -0.39 1.61 0.13 -1.90 -3.34 132.00 128.10 1sm9 h PRO 222 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1sm9 h PRO 222 Cb 0.00 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 1sm9 h PRO 222 CO 0.00 0.00 -0.24 0.37 -0.23 0.00 0.00 178.00 177.90 1sm9 h GLN 223 N 0.00 -0.16 -0.79 0.86 5.75 -1.90 0.17 115.11 119.03 1sm9 h GLN 223 Ca 0.00 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1sm9 h GLN 223 Cb 0.30 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 1sm9 h GLN 223 CO 0.00 -0.11 0.51 1.03 -2.65 0.00 0.00 178.83 177.61 1sm9 h SER 224 N -0.17 0.71 1.31 -0.69 0.87 -1.85 -2.07 113.55 111.67 1sm9 h SER 224 Ca 0.19 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1sm9 h SER 224 Cb 0.47 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1sm9 h SER 224 CO -0.50 0.45 -0.62 -0.26 -0.53 0.00 0.00 176.83 175.37 1sm9 h PHE 225 N 0.81 0.00 -0.44 2.24 -1.00 -1.40 -3.20 116.94 113.95 1sm9 h PHE 225 Ca 0.35 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.02 1sm9 h PHE 225 Cb 0.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 1sm9 h PHE 225 CO -0.00 0.00 -0.14 0.28 -1.61 0.00 0.00 178.31 176.84 1sm9 h VAL 226 N 0.00 1.26 0.00 -0.55 2.07 -0.03 -1.39 116.25 117.61 1sm9 h VAL 226 Ca 0.00 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 1sm9 h VAL 226 Cb 0.97 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1sm9 h VAL 226 CO 0.00 0.42 -0.01 -0.33 0.02 0.00 0.00 177.57 177.67 1sm9 h GLU 227 N 0.73 0.00 -0.63 1.57 5.08 -1.48 0.10 114.58 119.96 1sm9 h GLU 227 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1sm9 h GLU 227 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1sm9 h GLU 227 CO 0.05 0.01 0.00 -1.33 -1.00 0.00 0.00 179.01 176.74 1sm9 n MET 228 N -3.18 2.67 -2.63 2.33 2.81 -0.65 -4.95 117.12 113.53 1sm9 n MET 228 Ca -0.02 -2.55 -0.18 0.00 -1.81 0.00 0.00 57.70 53.13 1sm9 n MET 228 Cb 0.15 -1.55 0.01 0.00 -0.71 0.00 0.00 33.22 31.12 1sm9 n MET 228 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1sm9 n ASN 229 N 1.58 -5.32 -4.70 7.83 5.15 0.35 -4.96 115.26 115.20 1sm9 n ASN 229 Ca 0.23 -0.13 -0.42 0.00 -0.60 0.00 0.00 54.58 53.65 1sm9 n ASN 229 Cb 0.61 -4.27 -0.03 0.00 -0.53 0.00 0.00 39.78 35.57 1sm9 n ASN 229 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1sm9 s GLN 230 N -5.21 4.42 0.24 1.20 0.74 -0.62 -4.94 119.66 115.49 1sm9 s GLN 230 Ca 0.13 1.67 -0.05 0.00 0.05 0.00 0.00 55.36 57.16 1sm9 s GLN 230 Cb -0.06 -3.45 0.34 0.00 1.10 0.00 0.00 33.01 30.94 1sm9 s GLN 230 CO 0.16 -0.30 1.84 0.78 -0.55 0.00 0.00 175.29 177.22 1sm9 h GLY 231 N 7.37 1.28 0.94 2.59 0.00 -1.93 -1.63 103.07 111.68 1sm9 h GLY 231 Ca -0.38 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.58 1sm9 h GLY 231 CO 0.83 0.23 0.02 -0.09 0.00 0.00 0.00 176.54 177.53 1sm9 h ARG 232 N 0.92 0.06 -0.43 4.80 2.43 -1.97 -1.56 114.38 118.63 1sm9 h ARG 232 Ca 0.38 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1sm9 h ARG 232 Cb 0.21 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1sm9 h ARG 232 CO -0.19 0.11 0.18 0.00 -1.51 0.00 0.00 179.97 178.55 1sm9 h ALA 233 N 0.95 0.56 -0.83 2.80 0.00 -1.85 -2.57 119.26 118.32 1sm9 h ALA 233 Ca 0.02 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1sm9 h ALA 233 Cb 0.06 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1sm9 h ALA 233 CO -0.00 0.16 0.54 -0.07 0.00 0.00 0.00 179.25 179.87 1sm9 h LEU 234 N 0.55 0.71 0.00 0.00 3.38 -1.10 -0.70 115.31 118.15 1sm9 h LEU 234 Ca 0.14 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1sm9 h LEU 234 Cb 0.18 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sm9 h LEU 234 CO -0.01 0.42 0.00 0.59 0.09 0.00 0.00 178.44 179.53 1sm9 n ASN 235 N -4.51 0.00 -4.70 -0.43 3.02 -0.61 -4.80 115.26 103.23 1sm9 n ASN 235 Ca 0.14 -0.08 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 1sm9 n ASN 235 Cb 0.31 -0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 39.12 1sm9 n ASN 235 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sm9 s THR 236 N -2.58 5.32 0.21 3.41 2.01 -0.27 -5.04 115.64 118.69 1sm9 s THR 236 Ca 0.25 0.43 -0.32 0.00 0.31 0.00 0.00 61.69 62.35 1sm9 s THR 236 Cb 0.18 -3.59 -0.13 0.00 0.01 0.00 0.00 72.50 68.97 1sm9 s THR 236 CO 0.41 0.37 1.64 -2.65 -0.69 0.00 0.00 174.62 173.70 1sm9 n PRO 237 N 3.87 2.53 -1.57 4.92 -0.02 -1.26 -4.93 135.00 138.53 1sm9 n PRO 237 Ca -0.13 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 61.93 1sm9 n PRO 237 Cb 0.52 -2.71 0.07 0.00 -0.02 0.00 0.00 33.50 31.36 1sm9 n PRO 237 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sm9 s THR 238 N 0.83 2.77 0.21 3.45 -4.23 -1.26 -4.94 115.64 112.48 1sm9 s THR 238 Ca 0.74 0.36 0.08 0.00 -1.18 0.00 0.00 61.69 61.69 1sm9 s THR 238 Cb -0.57 -2.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 1sm9 s THR 238 CO 0.37 -0.21 1.49 -0.07 -0.54 0.00 0.00 174.62 175.66 1sm9 h LEU 239 N -0.18 0.04 -1.28 4.79 3.38 -1.92 -2.60 115.31 117.55 1sm9 h LEU 239 Ca -0.47 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 1sm9 h LEU 239 Cb 1.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 1sm9 h LEU 239 CO 0.52 0.78 0.18 -0.26 0.09 0.00 0.00 178.44 179.75 1sm9 h PHE 240 N 0.02 0.68 -0.29 1.13 -1.00 -1.92 -2.76 116.94 112.80 1sm9 h PHE 240 Ca -0.01 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1sm9 h PHE 240 Cb 1.34 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.68 1sm9 h PHE 240 CO 0.00 0.54 0.00 0.00 -1.61 0.00 0.00 178.31 177.24 1sm9 n ALA 241 N -2.46 2.43 -2.01 2.45 0.00 -1.18 -4.69 120.51 115.04 1sm9 n ALA 241 Ca 0.04 -0.92 -0.42 0.00 0.00 0.00 0.00 53.44 52.14 1sm9 n ALA 241 Cb 0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 1sm9 n ALA 241 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sm9 s HIS 242 N -1.58 3.16 0.27 0.00 5.04 -0.99 -4.91 115.29 116.28 1sm9 s HIS 242 Ca 0.35 0.99 0.00 0.00 -1.54 0.00 0.00 55.06 54.86 1sm9 s HIS 242 Cb 0.22 -3.74 0.56 0.00 0.04 0.00 0.00 32.58 29.65 1sm9 s HIS 242 CO 0.30 -2.50 1.79 -0.44 -2.34 0.00 0.00 174.74 171.56 1sm9 h ASP 243 N 5.95 0.72 -0.33 9.88 3.32 -1.91 -1.00 116.42 133.04 1sm9 h ASP 243 Ca -0.44 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1sm9 h ASP 243 Cb 1.21 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1sm9 h ASP 243 CO 0.83 0.34 0.04 0.74 -1.72 0.00 0.00 179.24 179.46 1sm9 h THR 244 N 0.78 1.24 -0.49 0.35 2.02 -1.94 -1.52 112.91 113.36 1sm9 h THR 244 Ca 0.49 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 1sm9 h THR 244 Cb 0.61 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1sm9 h THR 244 CO -0.32 0.29 -0.16 0.40 0.37 0.00 0.00 175.52 176.10 1sm9 h ILE 245 N 0.38 1.27 -0.37 3.11 1.08 -1.72 -2.47 117.51 118.79 1sm9 h ILE 245 Ca 0.10 -1.30 -0.10 0.00 -0.39 0.00 0.00 64.86 63.16 1sm9 h ILE 245 Cb 0.38 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1sm9 h ILE 245 CO 0.01 0.45 -0.17 0.11 -0.69 0.00 0.00 178.15 177.86 1sm9 h LYS 246 N 0.83 0.76 -0.29 2.37 1.57 -1.15 -0.88 116.57 119.79 1sm9 h LYS 246 Ca 0.12 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1sm9 h LYS 246 Cb 0.71 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1sm9 h LYS 246 CO 0.05 0.95 0.19 0.00 -0.57 0.00 0.00 179.45 180.07 1sm9 h ALA 247 N 0.80 0.37 -0.77 3.86 0.00 -1.22 0.22 119.26 122.51 1sm9 h ALA 247 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1sm9 h ALA 247 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1sm9 h ALA 247 CO 0.05 -0.17 0.35 0.82 0.00 0.00 0.00 179.25 180.31 1sm9 h ILE 248 N 0.39 1.25 -0.82 0.00 2.04 -1.38 0.71 117.51 119.70 1sm9 h ILE 248 Ca 0.11 -0.73 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1sm9 h ILE 248 Cb -0.04 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.30 1sm9 h ILE 248 CO -0.02 0.31 0.45 0.00 0.00 0.00 0.00 178.15 178.88 1sm9 h ALA 249 N 1.18 1.06 -0.46 1.87 0.00 -0.58 -2.14 119.26 120.19 1sm9 h ALA 249 Ca 0.26 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1sm9 h ALA 249 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sm9 h ALA 249 CO -0.03 0.57 -0.16 0.00 0.00 0.00 0.00 179.25 179.63 1sm9 h ALA 250 N 1.24 0.85 -0.99 0.00 0.00 0.06 0.98 119.26 121.40 1sm9 h ALA 250 Ca 0.29 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1sm9 h ALA 250 Cb 0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1sm9 h ALA 250 CO -0.05 0.64 0.63 -0.22 0.00 0.00 0.00 179.25 180.26 1sm9 h LYS 251 N 0.77 1.04 -0.46 0.00 3.64 -0.22 -2.36 116.57 118.99 1sm9 h LYS 251 Ca 0.12 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1sm9 h LYS 251 Cb 0.69 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1sm9 h LYS 251 CO 0.05 0.69 0.00 0.66 -2.27 0.00 0.00 179.45 178.58 1sm9 n TYR 252 N -4.54 0.60 -3.68 1.91 4.01 -1.01 -4.97 117.16 109.48 1sm9 n TYR 252 Ca 0.17 -0.38 -0.21 0.00 -0.16 0.00 0.00 57.90 57.31 1sm9 n TYR 252 Cb 0.26 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.32 1sm9 n TYR 252 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1sm9 n ASN 253 N 1.20 -1.62 -4.28 7.72 3.02 -0.25 -4.99 115.26 116.05 1sm9 n ASN 253 Ca 0.18 -0.79 -0.25 0.00 -0.03 0.00 0.00 54.58 53.69 1sm9 n ASN 253 Cb 0.53 -4.19 -0.09 0.00 -0.61 0.00 0.00 39.78 35.42 1sm9 n ASN 253 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sm9 s LYS 254 N -5.96 1.86 0.28 3.52 -0.14 0.18 -5.03 119.74 114.45 1sm9 s LYS 254 Ca 0.06 -2.11 -0.01 0.00 -1.36 0.00 0.00 55.97 52.56 1sm9 s LYS 254 Cb -0.03 -0.77 -0.04 0.00 -1.68 0.00 0.00 37.83 35.31 1sm9 s LYS 254 CO 0.80 -0.37 0.49 0.95 -0.76 0.00 0.00 175.35 176.46 1sm9 s THR 255 N -3.22 5.13 0.32 2.17 -4.23 -1.26 -4.33 115.64 110.22 1sm9 s THR 255 Ca 0.26 -0.36 0.02 0.00 -1.18 0.00 0.00 61.69 60.44 1sm9 s THR 255 Cb 0.05 -3.79 0.28 0.00 1.34 0.00 0.00 72.50 70.37 1sm9 s THR 255 CO 0.14 -0.37 1.93 -0.65 -0.54 0.00 0.00 174.62 175.12 1sm9 h PRO 256 N 1.37 0.91 -0.31 3.99 0.11 -1.90 -1.62 132.00 134.55 1sm9 h PRO 256 Ca -0.49 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1sm9 h PRO 256 Cb 1.20 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1sm9 h PRO 256 CO 0.64 0.60 0.20 0.00 -0.21 0.00 0.00 178.00 179.24 1sm9 h ALA 257 N 1.54 0.39 -0.95 -0.75 0.00 -1.94 -0.10 119.26 117.45 1sm9 h ALA 257 Ca 0.36 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1sm9 h ALA 257 Cb 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1sm9 h ALA 257 CO -0.13 -0.14 0.62 0.93 0.00 0.00 0.00 179.25 180.53 1sm9 h GLU 258 N 0.42 1.19 -0.52 0.00 5.08 -1.70 -1.00 114.58 118.05 1sm9 h GLU 258 Ca 0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1sm9 h GLU 258 Cb -0.04 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 1sm9 h GLU 258 CO -0.02 0.79 0.16 0.28 -1.00 0.00 0.00 179.01 179.22 1sm9 h VAL 259 N 1.23 1.23 -0.82 3.13 2.07 -0.84 0.78 116.25 123.04 1sm9 h VAL 259 Ca 0.37 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 1sm9 h VAL 259 Cb -0.04 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1sm9 h VAL 259 CO -0.11 0.29 0.50 -0.07 0.02 0.00 0.00 177.57 178.20 1sm9 h LEU 260 N 0.71 0.97 0.06 2.57 3.38 -0.21 0.18 115.31 122.97 1sm9 h LEU 260 Ca 0.17 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1sm9 h LEU 260 Cb 0.28 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1sm9 h LEU 260 CO -0.01 0.74 -1.20 -0.07 0.09 0.00 0.00 178.44 177.99 1sm9 h LEU 261 N 1.12 0.68 -0.96 1.67 3.38 -0.99 -3.27 115.31 116.94 1sm9 h LEU 261 Ca 0.29 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 1sm9 h LEU 261 Cb -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1sm9 h LEU 261 CO -0.06 1.47 -0.06 -0.09 0.09 0.00 0.00 178.44 179.79 1sm9 h ARG 262 N 0.20 0.69 -0.88 1.13 9.65 -0.47 -0.64 114.38 124.07 1sm9 h ARG 262 Ca -0.16 -0.20 0.18 0.00 -1.10 0.00 0.00 59.98 58.70 1sm9 h ARG 262 Cb 1.88 -0.07 -0.07 0.00 -1.39 0.00 0.00 29.97 30.31 1sm9 h ARG 262 CO 0.22 0.75 0.58 2.35 2.80 0.00 0.00 179.97 186.66 1sm9 h TRP 263 N 0.64 0.64 0.00 2.20 7.01 -0.70 0.88 115.95 126.63 1sm9 h TRP 263 Ca 0.12 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1sm9 h TRP 263 Cb 0.49 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 1sm9 h TRP 263 CO 0.02 0.20 -0.49 0.00 -2.79 0.00 0.00 178.44 175.38 1sm9 h ALA 264 N 1.62 0.10 -0.56 2.65 0.00 -1.53 -3.38 119.26 118.15 1sm9 h ALA 264 Ca 0.45 -0.71 0.11 0.00 0.00 0.00 0.00 54.91 54.76 1sm9 h ALA 264 Cb 0.97 0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 1sm9 h ALA 264 CO -0.19 0.29 -0.00 0.00 0.00 0.00 0.00 179.25 179.35 1sm9 h ALA 265 N -0.34 0.54 0.00 0.00 0.00 -0.60 -0.89 119.26 117.96 1sm9 h ALA 265 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sm9 h ALA 265 Cb 0.98 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sm9 h ALA 265 CO -0.08 -0.39 0.00 0.37 0.00 0.00 0.00 179.25 179.15 1sm9 h GLN 266 N 0.12 0.00 -0.52 0.00 4.15 -1.03 -0.53 115.11 117.30 1sm9 h GLN 266 Ca 0.29 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.70 1sm9 h GLN 266 Cb 0.45 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1sm9 h GLN 266 CO -0.48 0.00 0.01 0.54 -1.93 0.00 0.00 178.83 176.98 1sm9 n ARG 267 N -2.84 4.46 -1.01 1.69 1.74 -0.37 -4.92 116.66 115.41 1sm9 n ARG 267 Ca -0.02 -3.11 -0.00 0.00 -0.77 0.00 0.00 57.85 53.95 1sm9 n ARG 267 Cb 0.07 -2.19 -0.00 0.00 -1.02 0.00 0.00 32.46 29.32 1sm9 n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sm9 n GLY 268 N 0.35 0.46 3.73 -0.13 0.00 -0.20 -5.02 105.19 104.37 1sm9 n GLY 268 Ca 0.27 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1sm9 n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sm9 s ILE 269 N -1.91 5.18 0.42 -0.61 1.01 -1.00 -4.64 121.20 119.65 1sm9 s ILE 269 Ca 0.00 0.92 -0.22 0.00 0.00 0.00 0.00 60.65 61.35 1sm9 s ILE 269 Cb 0.00 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.57 1sm9 s ILE 269 CO 0.00 0.35 0.98 0.00 0.00 0.00 0.00 174.94 176.27 1sm9 s ALA 270 N 0.47 3.04 0.16 9.38 0.00 0.29 -3.58 121.76 131.52 1sm9 s ALA 270 Ca 0.25 0.50 0.09 0.00 0.00 0.00 0.00 51.96 52.80 1sm9 s ALA 270 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 1sm9 s ALA 270 CO 0.10 0.01 -0.19 0.14 0.00 0.00 0.00 175.76 175.82 1sm9 s VAL 271 N -1.98 1.82 -0.39 0.00 -7.23 -0.38 -0.16 120.40 112.09 1sm9 s VAL 271 Ca 0.60 -1.88 0.11 0.00 -1.81 0.00 0.00 61.98 59.01 1sm9 s VAL 271 Cb -0.14 -1.82 0.34 0.00 0.56 0.00 0.00 36.38 35.33 1sm9 s VAL 271 CO 0.18 -0.28 0.79 2.30 -0.31 0.00 0.00 175.10 177.78 1sm9 n ILE 272 N 0.39 -0.16 -1.74 -0.62 -5.35 -1.26 -0.01 119.36 110.62 1sm9 n ILE 272 Ca -0.14 -3.98 -0.38 0.00 -0.27 0.00 0.00 62.75 57.98 1sm9 n ILE 272 Cb 0.57 0.01 0.05 0.00 -1.74 0.00 0.00 39.64 38.53 1sm9 n ILE 272 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1sm9 n PRO 273 N 0.35 1.48 -2.77 6.28 -0.04 -1.24 -3.29 135.00 135.76 1sm9 n PRO 273 Ca 0.21 0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 63.80 1sm9 n PRO 273 Cb 0.66 -2.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 1sm9 n PRO 273 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sm9 s ARG 274 N -3.05 3.98 -0.27 0.54 6.06 -1.26 -2.13 118.95 122.81 1sm9 s ARG 274 Ca 0.76 0.80 -0.08 0.00 -2.50 0.00 0.00 55.73 54.71 1sm9 s ARG 274 Cb -0.40 -3.75 -0.01 0.00 0.06 0.00 0.00 34.95 30.84 1sm9 s ARG 274 CO 0.46 -0.85 0.09 -1.12 -2.50 0.00 0.00 175.30 171.38 1sm9 s SER 275 N 1.70 5.19 -0.07 -2.12 0.01 -1.26 -4.96 113.70 112.19 1sm9 s SER 275 Ca 0.40 -0.39 0.10 0.00 1.31 0.00 0.00 55.95 57.37 1sm9 s SER 275 Cb -0.13 -1.92 0.21 0.00 0.21 0.00 0.00 66.02 64.39 1sm9 s SER 275 CO 0.15 -0.10 1.14 -0.90 0.41 0.00 0.00 173.24 173.94 1sm9 n ASP 276 N 4.92 2.48 -3.77 2.44 5.75 -1.26 -4.87 116.55 122.24 1sm9 n ASP 276 Ca -0.15 -2.50 -0.13 0.00 -0.01 0.00 0.00 54.79 52.00 1sm9 n ASP 276 Cb 0.50 -0.25 -0.11 0.00 -1.03 0.00 0.00 41.12 40.23 1sm9 n ASP 276 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1sm9 s LEU 277 N -1.87 0.87 0.27 -2.12 1.43 -1.26 -5.03 118.68 110.96 1sm9 s LEU 277 Ca 0.19 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 1sm9 s LEU 277 Cb 0.15 0.96 0.61 0.00 0.03 0.00 0.00 46.19 47.94 1sm9 s LEU 277 CO 0.04 -0.10 1.63 -0.65 0.23 0.00 0.00 176.35 177.50 1sm9 h PRO 278 N 5.83 0.15 -0.47 1.29 0.11 -2.00 0.12 132.00 137.03 1sm9 h PRO 278 Ca -0.27 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 1sm9 h PRO 278 Cb 1.19 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1sm9 h PRO 278 CO 0.33 0.10 0.27 1.49 -0.21 0.00 0.00 178.00 179.98 1sm9 h GLU 279 N 0.15 0.53 -0.24 1.05 4.81 -2.01 -2.02 114.58 116.85 1sm9 h GLU 279 Ca 0.50 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.64 1sm9 h GLU 279 Cb 0.98 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1sm9 h GLU 279 CO -0.69 0.35 -0.10 0.00 -0.73 0.00 0.00 179.01 177.84 1sm9 h ARG 280 N 0.54 0.39 -0.57 1.92 3.08 -1.25 -0.98 114.38 117.52 1sm9 h ARG 280 Ca 0.19 -0.10 0.09 0.00 0.07 0.00 0.00 59.98 60.23 1sm9 h ARG 280 Cb 0.03 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1sm9 h ARG 280 CO -0.09 0.50 0.19 -0.07 -1.07 0.00 0.00 179.97 179.43 1sm9 h LEU 281 N 0.37 0.16 0.08 3.04 3.38 -0.36 0.81 115.31 122.79 1sm9 h LEU 281 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sm9 h LEU 281 Cb 0.41 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sm9 h LEU 281 CO 0.02 0.10 -0.04 0.58 0.09 0.00 0.00 178.44 179.20 1sm9 h VAL 282 N 0.36 1.18 -0.62 1.22 2.07 -1.25 -3.31 116.25 115.89 1sm9 h VAL 282 Ca 0.28 -1.29 0.12 0.00 0.82 0.00 0.00 66.70 66.63 1sm9 h VAL 282 Cb 0.35 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.01 1sm9 h VAL 282 CO -0.31 0.30 0.15 1.56 0.02 0.00 0.00 177.57 179.30 1sm9 h GLN 283 N -0.73 0.27 0.00 1.57 4.20 -0.97 -2.19 115.11 117.26 1sm9 h GLN 283 Ca -0.01 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1sm9 h GLN 283 Cb 0.58 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1sm9 h GLN 283 CO 0.02 0.18 0.00 0.09 -0.67 0.00 0.00 178.83 178.45 1sm9 n ASN 284 N -5.11 0.00 -0.02 1.46 3.02 0.26 -2.28 115.26 112.59 1sm9 n ASN 284 Ca 0.10 -0.22 0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1sm9 n ASN 284 Cb 0.34 -0.11 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 1sm9 n ASN 284 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1sm9 n ARG 285 N -1.11 1.99 -1.82 3.52 1.85 -0.84 -4.77 116.66 115.48 1sm9 n ARG 285 Ca 0.09 -1.27 -0.09 0.00 -1.00 0.00 0.00 57.85 55.58 1sm9 n ARG 285 Cb 0.07 -0.88 0.07 0.00 -1.05 0.00 0.00 32.46 30.67 1sm9 n ARG 285 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1sm9 n SER 286 N -0.40 2.99 -0.10 2.89 7.64 -0.97 -4.83 113.62 120.84 1sm9 n SER 286 Ca 0.01 -3.19 0.10 0.00 1.01 0.00 0.00 58.87 56.80 1sm9 n SER 286 Cb 0.35 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 1sm9 n SER 286 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1sm9 n PHE 287 N -0.64 0.00 -1.26 1.43 1.16 -1.25 -4.59 117.46 112.32 1sm9 n PHE 287 Ca 0.26 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.62 1sm9 n PHE 287 Cb 0.89 -0.03 -0.11 0.00 -1.61 0.00 0.00 39.48 38.63 1sm9 n PHE 287 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1sm9 n ASN 288 N -1.20 6.18 -0.68 5.98 3.02 -1.26 -4.23 115.26 123.08 1sm9 n ASN 288 Ca 0.05 -2.77 0.06 0.00 -0.03 0.00 0.00 54.58 51.90 1sm9 n ASN 288 Cb 0.36 -1.37 0.18 0.00 -0.61 0.00 0.00 39.78 38.34 1sm9 n ASN 288 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sm9 n THR 289 N 2.02 1.47 -3.63 3.41 -2.24 -1.26 -5.01 114.28 109.05 1sm9 n THR 289 Ca 0.50 -1.34 -0.07 0.00 -2.27 0.00 0.00 64.05 60.87 1sm9 n THR 289 Cb 0.69 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1sm9 n THR 289 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1sm9 s PHE 290 N -1.68 -0.29 -0.05 4.78 -0.71 -1.26 -5.17 117.98 113.60 1sm9 s PHE 290 Ca 0.29 0.03 0.06 0.00 -1.04 0.00 0.00 56.93 56.27 1sm9 s PHE 290 Cb 0.19 0.60 -0.01 0.00 -1.21 0.00 0.00 43.02 42.59 1sm9 s PHE 290 CO 0.12 -0.80 -0.25 -0.51 -1.34 0.00 0.00 175.22 172.44 1sm9 s ASP 291 N -2.75 3.06 0.29 1.98 1.01 -1.26 -5.08 116.67 113.91 1sm9 s ASP 291 Ca 0.08 -0.50 -0.25 0.00 0.71 0.00 0.00 52.55 52.58 1sm9 s ASP 291 Cb -0.02 -0.75 -0.09 0.00 1.01 0.00 0.00 42.92 43.07 1sm9 s ASP 291 CO -0.04 0.26 0.90 -0.76 0.21 0.00 0.00 175.17 175.74 1sm9 s LEU 292 N -0.25 4.40 0.65 1.23 1.43 -1.26 -5.06 118.68 119.82 1sm9 s LEU 292 Ca -0.01 1.77 -0.01 0.00 -1.03 0.00 0.00 54.13 54.85 1sm9 s LEU 292 Cb -0.13 -3.84 0.08 0.00 0.03 0.00 0.00 46.19 42.32 1sm9 s LEU 292 CO 0.03 -0.00 0.90 0.42 0.23 0.00 0.00 176.35 177.93 1sm9 s THR 293 N -1.51 2.39 0.27 5.49 -4.23 -1.26 -4.91 115.64 111.88 1sm9 s THR 293 Ca 0.47 -0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 60.37 1sm9 s THR 293 Cb -0.20 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.10 1sm9 s THR 293 CO 0.24 0.00 1.91 0.50 -0.54 0.00 0.00 174.62 176.74 1sm9 h LYS 294 N -0.29 1.19 -0.41 3.99 3.64 -1.99 -1.07 116.57 121.62 1sm9 h LYS 294 Ca -0.40 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 58.80 1sm9 h LYS 294 Cb 1.29 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 1sm9 h LYS 294 CO 0.48 0.79 -0.19 0.93 -2.27 0.00 0.00 179.45 179.19 1sm9 h GLU 295 N 1.23 0.80 0.07 1.90 3.07 -1.99 -1.66 114.58 118.01 1sm9 h GLU 295 Ca 0.39 -0.31 0.01 0.00 -0.50 0.00 0.00 59.36 58.95 1sm9 h GLU 295 Cb 0.01 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.87 1sm9 h GLU 295 CO -0.12 0.93 -0.10 -0.44 -1.40 0.00 0.00 179.01 177.88 1sm9 h ASP 296 N 0.71 -0.28 -0.97 1.42 3.32 -1.61 -0.52 116.42 118.49 1sm9 h ASP 296 Ca 0.10 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.27 1sm9 h ASP 296 Cb 0.70 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 40.28 1sm9 h ASP 296 CO 0.05 -0.15 0.62 -0.26 -1.72 0.00 0.00 179.24 177.77 1sm9 h PHE 297 N -0.21 1.13 -0.38 4.55 0.04 -1.07 -0.73 116.94 120.27 1sm9 h PHE 297 Ca 0.01 0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.73 1sm9 h PHE 297 Cb 0.22 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1sm9 h PHE 297 CO -0.13 0.53 -0.12 0.93 -0.60 0.00 0.00 178.31 178.92 1sm9 h GLU 298 N 1.06 0.67 -0.25 1.51 5.08 -0.77 0.14 114.58 122.03 1sm9 h GLU 298 Ca 0.44 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1sm9 h GLU 298 Cb 0.29 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sm9 h GLU 298 CO -0.21 0.77 -0.24 0.93 -1.00 0.00 0.00 179.01 179.26 1sm9 h GLU 299 N 0.61 0.60 -0.18 2.33 4.39 -0.17 -3.06 114.58 119.11 1sm9 h GLU 299 Ca 0.11 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.39 1sm9 h GLU 299 Cb 0.56 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1sm9 h GLU 299 CO 0.03 0.91 -0.33 0.82 -1.16 0.00 0.00 179.01 179.28 1sm9 h ILE 300 N 0.31 1.28 -0.21 3.13 2.04 -1.01 -2.71 117.51 120.36 1sm9 h ILE 300 Ca 0.04 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.58 1sm9 h ILE 300 Cb 0.80 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1sm9 h ILE 300 CO 0.06 0.42 0.17 0.00 0.00 0.00 0.00 178.15 178.80 1sm9 h ALA 301 N 1.34 2.05 0.00 1.87 0.00 -0.61 -1.01 119.26 122.90 1sm9 h ALA 301 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sm9 h ALA 301 Cb 0.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1sm9 h ALA 301 CO 0.06 -0.27 0.00 0.87 0.00 0.00 0.00 179.25 179.90 1sm9 h LYS 302 N 0.00 0.00 0.00 0.00 1.57 -1.44 -2.72 116.57 113.98 1sm9 h LYS 302 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1sm9 h LYS 302 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sm9 h LYS 302 CO -0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 1sm9 h LEU 303 N 0.00 0.00 -9.43 2.94 3.38 -1.34 -3.45 115.31 107.42 1sm9 h LEU 303 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1sm9 h LEU 303 Cb 0.39 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.16 1sm9 h LEU 303 CO 0.00 0.00 1.16 -0.62 0.09 0.00 0.00 178.44 179.07 1sm9 s ASP 304 N -5.74 6.45 -0.00 -0.43 2.15 -0.58 -4.31 116.67 114.21 1sm9 s ASP 304 Ca 0.02 2.69 0.01 0.00 0.43 0.00 0.00 52.55 55.70 1sm9 s ASP 304 Cb 0.08 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.16 1sm9 s ASP 304 CO 0.56 -1.02 0.75 2.30 -0.17 0.00 0.00 175.17 177.60 1sm9 n ILE 305 N 5.13 0.09 -3.10 4.11 -5.35 -0.92 -5.01 119.36 114.32 1sm9 n ILE 305 Ca 0.19 -0.11 -0.23 0.00 -0.27 0.00 0.00 62.75 62.33 1sm9 n ILE 305 Cb 0.40 0.73 0.04 0.00 -1.74 0.00 0.00 39.64 39.06 1sm9 n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sm9 n GLY 306 N -0.06 -0.52 3.58 3.28 0.00 -0.61 -4.94 105.19 105.92 1sm9 n GLY 306 Ca 0.00 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1sm9 n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sm9 s LEU 307 N -6.74 4.17 -0.20 0.99 2.96 -0.48 -4.97 118.68 114.42 1sm9 s LEU 307 Ca 0.34 0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1sm9 s LEU 307 Cb -0.15 -2.94 -0.02 0.00 0.50 0.00 0.00 46.19 43.58 1sm9 s LEU 307 CO 0.42 -0.67 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.16 1sm9 s ARG 308 N 2.93 3.53 -0.07 1.98 3.52 -1.26 -4.24 118.95 125.33 1sm9 s ARG 308 Ca 0.29 -0.57 0.14 0.00 -0.13 0.00 0.00 55.73 55.46 1sm9 s ARG 308 Cb -0.14 -3.01 -0.23 0.00 -1.56 0.00 0.00 34.95 30.01 1sm9 s ARG 308 CO 0.16 -0.02 0.55 1.19 -0.81 0.00 0.00 175.30 176.36 1sm9 n PHE 309 N 4.32 0.79 -3.53 5.12 3.72 -1.26 -4.67 117.46 121.94 1sm9 n PHE 309 Ca -0.18 0.29 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1sm9 n PHE 309 Cb 0.52 -1.14 -0.07 0.00 -0.94 0.00 0.00 39.48 37.85 1sm9 n PHE 309 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sm9 s ASN 310 N -5.94 5.89 -0.15 4.37 3.04 -1.26 -5.03 114.94 115.86 1sm9 s ASN 310 Ca -0.06 -2.45 -0.02 0.00 0.04 0.00 0.00 52.86 50.37 1sm9 s ASN 310 Cb 0.08 -2.03 0.05 0.00 -1.54 0.00 0.00 41.25 37.81 1sm9 s ASN 310 CO 0.83 -0.56 0.01 -0.62 -3.04 0.00 0.00 177.10 173.72 1sm9 s ASP 311 N 1.90 2.43 0.35 -4.21 -1.08 -1.26 -4.99 116.67 109.81 1sm9 s ASP 311 Ca 0.13 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 51.83 1sm9 s ASP 311 Cb -0.20 -0.59 1.14 0.00 -1.46 0.00 0.00 42.92 41.82 1sm9 s ASP 311 CO -0.04 -0.25 1.62 -0.65 0.52 0.00 0.00 175.17 176.37 1sm9 h PRO 312 N 8.25 0.00 -0.30 4.34 0.11 -1.96 0.33 132.00 142.78 1sm9 h PRO 312 Ca -0.19 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 1sm9 h PRO 312 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1sm9 h PRO 312 CO 0.32 0.00 0.08 2.35 -0.21 0.00 0.00 178.00 180.55 1sm9 h TRP 313 N 0.00 0.42 0.00 0.65 2.91 -1.90 -1.06 115.95 116.96 1sm9 h TRP 313 Ca 0.00 -0.02 -0.06 0.00 1.13 0.00 0.00 58.89 59.94 1sm9 h TRP 313 Cb 0.17 -0.13 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1sm9 h TRP 313 CO 0.00 0.36 -0.30 -0.44 -1.03 0.00 0.00 178.44 177.03 1sm9 h ASP 314 N 0.42 0.00 0.01 2.65 3.32 -0.67 -0.85 116.42 121.30 1sm9 h ASP 314 Ca 0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1sm9 h ASP 314 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1sm9 h ASP 314 CO -0.01 0.30 -0.11 -0.50 -1.72 0.00 0.00 179.24 177.20 1sm9 h TRP 315 N 0.00 0.09 0.00 4.55 6.55 -1.30 -3.44 115.95 122.40 1sm9 h TRP 315 Ca -0.00 -0.06 -0.17 0.00 0.95 0.00 0.00 58.89 59.61 1sm9 h TRP 315 Cb 0.75 -0.01 -0.15 0.00 -0.86 0.00 0.00 29.16 28.89 1sm9 h TRP 315 CO 0.00 0.96 -0.27 -3.47 -1.05 0.00 0.00 178.44 174.60 1sm9 n ASP 316 N -4.58 -1.50 -3.98 -3.49 2.03 -1.08 -5.00 116.55 98.95 1sm9 n ASP 316 Ca -0.10 -2.23 -0.26 0.00 0.52 0.00 0.00 54.79 52.71 1sm9 n ASP 316 Cb 0.49 0.71 -0.02 0.00 -0.72 0.00 0.00 41.12 41.58 1sm9 n ASP 316 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1sm9 n ASN 317 N -1.49 -0.65 -4.62 1.67 4.13 -0.33 -4.92 115.26 109.06 1sm9 n ASN 317 Ca -0.17 -1.01 -0.42 0.00 1.68 0.00 0.00 54.58 54.66 1sm9 n ASN 317 Cb 0.88 -3.02 -0.04 0.00 -1.54 0.00 0.00 39.78 36.06 1sm9 n ASN 317 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1sm9 s ILE 318 N -3.89 4.66 0.00 2.41 1.01 -1.15 -4.91 121.20 119.33 1sm9 s ILE 318 Ca 0.08 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1sm9 s ILE 318 Cb -0.05 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1sm9 s ILE 318 CO 0.89 -0.39 0.61 -0.81 0.00 0.00 0.00 174.94 175.24 1sm9 n PRO 319 N 6.53 0.45 -0.32 2.79 -0.04 -1.26 -3.33 135.00 139.82 1sm9 n PRO 319 Ca 0.07 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 1sm9 n PRO 319 Cb 0.48 -1.28 0.16 0.00 -0.04 0.00 0.00 33.50 32.82 1sm9 n PRO 319 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1sm9 h ILE 320 N 0.92 1.24 -0.26 0.52 1.08 -1.95 -3.05 117.51 116.01 1sm9 h ILE 320 Ca 0.00 -0.43 -0.12 0.00 -0.39 0.00 0.00 64.86 63.92 1sm9 h ILE 320 Cb 0.45 -0.11 -0.07 0.00 -3.07 0.00 0.00 36.82 34.01 1sm9 h ILE 320 CO 0.00 0.23 -0.13 0.49 -0.69 0.00 0.00 178.15 178.04 1sm9 n PHE 321 N -4.39 0.83 -0.08 1.37 3.72 -1.26 -4.73 117.46 112.91 1sm9 n PHE 321 Ca 0.11 -1.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 1sm9 n PHE 321 Cb 0.02 -0.41 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1sm9 n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04