#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lua s LYS 3 N 0.00 4.67 -0.55 1.43 1.02 -1.26 -4.98 119.74 120.07 1lua s LYS 3 Ca 0.00 1.60 -0.28 0.00 0.02 0.00 0.00 55.97 57.30 1lua s LYS 3 Cb 0.00 -3.11 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 1lua s LYS 3 CO 0.00 0.30 1.21 0.15 -0.92 0.00 0.00 175.35 176.10 1lua s LYS 4 N -1.52 3.54 -0.25 1.68 1.02 -1.26 -4.74 119.74 118.21 1lua s LYS 4 Ca 0.45 0.36 -0.09 0.00 0.02 0.00 0.00 55.97 56.71 1lua s LYS 4 Cb -0.27 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 32.99 1lua s LYS 4 CO 0.34 -1.65 0.12 -0.51 -0.92 0.00 0.00 175.35 172.74 1lua s LEU 5 N 4.99 3.75 -0.18 3.17 1.43 0.34 -0.50 118.68 131.68 1lua s LEU 5 Ca 0.46 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.41 1lua s LEU 5 Cb -0.08 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1lua s LEU 5 CO 0.27 -0.01 0.05 -0.22 0.23 0.00 0.00 176.35 176.67 1lua s LEU 6 N 1.50 3.75 -0.28 1.79 2.96 0.32 -1.57 118.68 127.16 1lua s LEU 6 Ca 0.06 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1lua s LEU 6 Cb -0.15 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1lua s LEU 6 CO 0.06 0.18 0.11 -0.36 -1.32 0.00 0.00 176.35 175.02 1lua s PHE 7 N 0.31 3.14 -0.32 5.38 0.40 0.05 -1.65 117.98 125.29 1lua s PHE 7 Ca 0.03 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.66 1lua s PHE 7 Cb -0.12 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.09 1lua s PHE 7 CO 0.00 -0.42 0.33 -1.14 0.70 0.00 0.00 175.22 174.69 1lua s GLN 8 N 1.60 3.72 -0.36 0.44 0.74 -0.26 -1.30 119.66 124.23 1lua s GLN 8 Ca 0.05 -0.31 -0.06 0.00 0.05 0.00 0.00 55.36 55.09 1lua s GLN 8 Cb -0.16 -3.75 0.06 0.00 1.10 0.00 0.00 33.01 30.26 1lua s GLN 8 CO 0.05 -0.41 0.14 -0.06 -0.55 0.00 0.00 175.29 174.46 1lua s PHE 9 N 1.97 3.33 -0.11 1.67 2.99 -0.15 -0.37 117.98 127.30 1lua s PHE 9 Ca 0.11 -1.69 -0.02 0.00 0.00 0.00 0.00 56.93 55.34 1lua s PHE 9 Cb -0.16 -2.58 -0.03 0.00 0.00 0.00 0.00 43.02 40.25 1lua s PHE 9 CO 0.11 -0.81 -0.03 0.34 -0.00 0.00 0.00 175.22 174.83 1lua s ASP 10 N 1.63 4.93 0.09 1.36 -1.08 -0.39 -1.05 116.67 122.16 1lua s ASP 10 Ca 0.01 -0.01 0.26 0.00 -0.52 0.00 0.00 52.55 52.29 1lua s ASP 10 Cb -0.21 -1.53 1.00 0.00 -1.46 0.00 0.00 42.92 40.72 1lua s ASP 10 CO 0.01 0.29 1.80 0.35 0.52 0.00 0.00 175.17 178.14 1lua n THR 11 N 2.75 0.39 -2.24 1.71 -2.24 -0.63 -2.53 114.28 111.50 1lua n THR 11 Ca -0.18 -0.04 -0.27 0.00 -2.27 0.00 0.00 64.05 61.30 1lua n THR 11 Cb 0.53 -0.65 0.14 0.00 -2.10 0.00 0.00 70.33 68.25 1lua n THR 11 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1lua s ASP 12 N -3.60 3.84 0.25 3.42 1.01 -1.26 -4.19 116.67 116.14 1lua s ASP 12 Ca 0.11 0.03 -0.03 0.00 0.71 0.00 0.00 52.55 53.37 1lua s ASP 12 Cb 0.15 -0.29 0.42 0.00 1.01 0.00 0.00 42.92 44.21 1lua s ASP 12 CO 0.50 -2.23 1.82 0.00 0.21 0.00 0.00 175.17 175.48 1lua h ALA 13 N -1.05 1.25 -2.48 5.23 0.00 -1.94 0.41 119.26 120.68 1lua h ALA 13 Ca -0.41 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 1lua h ALA 13 Cb 1.26 -0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.73 1lua h ALA 13 CO 0.42 0.15 -0.71 0.95 0.00 0.00 0.00 179.25 180.05 1lua s THR 14 N -6.02 0.76 0.37 0.00 -4.23 -1.26 -4.16 115.64 101.10 1lua s THR 14 Ca -0.12 -1.75 -0.27 0.00 -1.18 0.00 0.00 61.69 58.37 1lua s THR 14 Cb 0.20 -1.46 -0.09 0.00 1.34 0.00 0.00 72.50 72.49 1lua s THR 14 CO 0.79 -0.72 1.20 -2.84 -0.54 0.00 0.00 174.62 172.51 1lua s PRO 15 N -3.26 4.19 0.15 3.99 0.02 -1.26 -4.88 135.00 133.95 1lua s PRO 15 Ca 0.07 1.95 -0.33 0.00 0.02 0.00 0.00 61.00 62.71 1lua s PRO 15 Cb 0.01 -2.84 -0.12 0.00 0.02 0.00 0.00 34.50 31.56 1lua s PRO 15 CO -0.03 -0.23 1.71 0.45 -0.33 0.00 0.00 177.00 178.58 1lua n SER 16 N 0.40 3.64 -0.12 2.53 2.88 -1.26 -4.90 113.62 116.78 1lua n SER 16 Ca 0.03 1.04 -0.10 0.00 -1.33 0.00 0.00 58.87 58.51 1lua n SER 16 Cb 0.45 -1.50 0.05 0.00 -0.75 0.00 0.00 64.21 62.46 1lua n SER 16 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1lua h VAL 17 N 4.08 1.27 -0.56 2.46 2.07 -2.00 -2.98 116.25 120.59 1lua h VAL 17 Ca -0.45 -1.37 0.06 0.00 0.82 0.00 0.00 66.70 65.76 1lua h VAL 17 Cb 1.23 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 1lua h VAL 17 CO 0.93 0.47 0.26 0.15 0.02 0.00 0.00 177.57 179.40 1lua h PHE 18 N 0.76 0.47 0.00 1.57 3.57 -2.01 -2.18 116.94 119.13 1lua h PHE 18 Ca 0.10 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1lua h PHE 18 Cb 0.77 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1lua h PHE 18 CO 0.05 0.20 -0.37 -0.44 -2.23 0.00 0.00 178.31 175.52 1lua h ASP 19 N 0.49 0.00 -0.02 0.41 3.32 -1.93 -2.55 116.42 116.14 1lua h ASP 19 Ca 0.26 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1lua h ASP 19 Cb 0.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1lua h ASP 19 CO -0.21 0.37 -0.02 0.58 -1.72 0.00 0.00 179.24 178.24 1lua h VAL 20 N 0.00 1.36 -0.12 -1.35 2.07 -1.27 -2.04 116.25 114.90 1lua h VAL 20 Ca -0.00 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.43 1lua h VAL 20 Cb 0.71 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1lua h VAL 20 CO 0.05 0.29 0.08 0.58 0.02 0.00 0.00 177.57 178.58 1lua h VAL 21 N -0.39 1.06 -0.48 2.57 2.07 -1.28 -1.91 116.25 117.89 1lua h VAL 21 Ca 0.00 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1lua h VAL 21 Cb 0.47 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1lua h VAL 21 CO 0.00 0.05 0.20 0.58 0.02 0.00 0.00 177.57 178.43 1lua h VAL 22 N 0.14 1.17 -0.82 2.57 2.07 -1.54 -1.28 116.25 118.56 1lua h VAL 22 Ca 0.04 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1lua h VAL 22 Cb 0.02 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1lua h VAL 22 CO -0.01 0.21 0.35 1.23 0.02 0.00 0.00 177.57 179.37 1lua h GLY 23 N 0.81 1.30 1.23 2.17 0.00 -0.93 0.17 103.07 107.81 1lua h GLY 23 Ca 0.17 -0.69 -0.19 0.00 0.00 0.00 0.00 47.33 46.62 1lua h GLY 23 CO -0.02 0.65 -0.61 -0.97 0.00 0.00 0.00 176.54 175.59 1lua h TYR 24 N 1.18 1.02 0.00 5.60 0.99 -0.85 -2.41 116.97 122.50 1lua h TYR 24 Ca 0.27 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.62 1lua h TYR 24 Cb 0.19 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 37.74 1lua h TYR 24 CO 0.02 1.20 0.00 -0.44 -0.00 0.00 0.00 178.16 178.94 1lua h ASP 25 N 0.59 0.00 0.07 3.88 3.32 -0.94 -1.56 116.42 121.78 1lua h ASP 25 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lua h ASP 25 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1lua h ASP 25 CO 0.13 0.00 -0.06 0.61 -1.72 0.00 0.00 179.24 178.20 1lua n GLY 26 N 0.04 -0.31 0.00 2.75 0.00 0.02 -4.94 105.19 102.76 1lua n GLY 26 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1lua n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lua n GLY 27 N 1.20 0.81 3.77 -0.02 0.00 -0.59 -3.01 105.19 107.35 1lua n GLY 27 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1lua n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lua s ALA 28 N -2.00 3.19 -0.02 4.61 0.00 -0.93 -4.90 121.76 121.71 1lua s ALA 28 Ca 0.00 1.16 0.12 0.00 0.00 0.00 0.00 51.96 53.24 1lua s ALA 28 Cb 0.00 -3.46 -0.21 0.00 0.00 0.00 0.00 23.12 19.45 1lua s ALA 28 CO 0.00 -0.78 0.82 -0.44 0.00 0.00 0.00 175.76 175.36 1lua h ASP 29 N 2.55 0.00 -3.87 0.00 3.32 -1.14 -3.43 116.42 113.85 1lua h ASP 29 Ca -0.49 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.43 1lua h ASP 29 Cb 1.25 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.55 1lua h ASP 29 CO 0.62 0.94 -0.27 -1.00 -1.72 0.00 0.00 179.24 177.81 1lua s HIS 30 N -2.66 -0.42 -0.13 4.55 3.76 -0.99 -4.98 115.29 114.42 1lua s HIS 30 Ca -0.03 1.02 0.02 0.00 -0.15 0.00 0.00 55.06 55.91 1lua s HIS 30 Cb 0.08 0.14 0.01 0.00 1.11 0.00 0.00 32.58 33.93 1lua s HIS 30 CO 0.82 -0.20 -0.18 0.42 -0.85 0.00 0.00 174.74 174.75 1lua s ILE 31 N 0.21 1.73 -0.24 0.60 1.01 -1.26 -0.52 121.20 122.71 1lua s ILE 31 Ca -0.00 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 59.85 1lua s ILE 31 Cb -0.03 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.90 1lua s ILE 31 CO 0.00 0.49 -0.04 -0.89 0.00 0.00 0.00 174.94 174.50 1lua s THR 32 N 1.01 3.17 -0.01 2.92 2.01 -0.66 -5.00 115.64 119.08 1lua s THR 32 Ca -0.05 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.15 1lua s THR 32 Cb -0.15 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 1lua s THR 32 CO -0.03 0.26 0.02 -0.83 -0.69 0.00 0.00 174.62 173.35 1lua s GLY 33 N 1.40 1.92 -0.01 4.40 0.00 -1.26 -1.11 107.32 112.65 1lua s GLY 33 Ca 0.02 -0.91 0.06 0.00 0.00 0.00 0.00 44.72 43.89 1lua s GLY 33 CO -0.03 -0.77 -0.18 -0.19 0.00 0.00 0.00 173.10 171.92 1lua s TYR 34 N -1.10 1.61 0.52 1.90 1.51 0.50 -4.94 117.35 117.35 1lua s TYR 34 Ca 0.20 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 1lua s TYR 34 Cb -0.12 -1.04 0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1lua s TYR 34 CO 0.10 -0.03 0.48 0.20 -1.11 0.00 0.00 175.55 175.20 1lua s GLY 35 N -0.42 2.18 -1.33 0.71 0.00 -1.26 -1.26 107.32 105.94 1lua s GLY 35 Ca 0.07 -1.59 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 1lua s GLY 35 CO -0.01 -1.83 0.06 0.70 0.00 0.00 0.00 173.10 172.02 1lua n ASN 36 N -1.82 -4.68 -4.74 1.64 3.02 0.14 -4.87 115.26 103.95 1lua n ASN 36 Ca 0.03 0.07 -0.41 0.00 -0.03 0.00 0.00 54.58 54.25 1lua n ASN 36 Cb 0.63 -3.92 -0.05 0.00 -0.61 0.00 0.00 39.78 35.83 1lua n ASN 36 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lua s VAL 37 N -2.80 4.13 0.29 2.41 1.01 -1.05 -5.00 120.40 119.39 1lua s VAL 37 Ca 0.04 1.90 0.02 0.00 0.00 0.00 0.00 61.98 63.94 1lua s VAL 37 Cb -0.02 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 1lua s VAL 37 CO 0.04 0.35 0.08 0.42 0.00 0.00 0.00 175.10 175.99 1lua s THR 38 N -0.44 0.87 0.53 3.92 -4.23 -1.26 -4.54 115.64 110.48 1lua s THR 38 Ca 0.46 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.31 1lua s THR 38 Cb -0.26 -2.70 0.37 0.00 1.34 0.00 0.00 72.50 71.25 1lua s THR 38 CO 0.33 -0.01 2.22 -0.65 -0.54 0.00 0.00 174.62 175.97 1lua h PRO 39 N 2.26 0.00 0.13 3.99 0.11 -1.91 -2.46 132.00 134.12 1lua h PRO 39 Ca -0.39 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.54 1lua h PRO 39 Cb 1.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.37 1lua h PRO 39 CO 0.65 0.03 -0.75 -0.44 -0.21 0.00 0.00 178.00 177.28 1lua h ASP 40 N 0.00 0.43 0.36 -2.05 5.19 -1.96 -3.37 116.42 115.02 1lua h ASP 40 Ca -0.00 -0.96 0.00 0.00 -0.62 0.00 0.00 57.03 55.45 1lua h ASP 40 Cb 0.13 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1lua h ASP 40 CO 0.00 1.36 -0.38 -0.46 -3.12 0.00 0.00 179.24 176.65 1lua n ASN 41 N -4.16 0.77 0.19 6.45 0.23 -1.15 -4.19 115.26 113.40 1lua n ASN 41 Ca -0.14 -0.59 0.05 0.00 -0.53 0.00 0.00 54.58 53.37 1lua n ASN 41 Cb 0.80 0.20 0.34 0.00 -2.08 0.00 0.00 39.78 39.03 1lua n ASN 41 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1lua h VAL 42 N 0.62 0.98 -0.59 3.53 3.04 -1.60 -3.25 116.25 118.98 1lua h VAL 42 Ca 0.00 -1.51 0.09 0.00 -1.01 0.00 0.00 66.70 64.26 1lua h VAL 42 Cb 0.50 1.89 -0.07 0.00 -2.01 0.00 0.00 31.29 31.61 1lua h VAL 42 CO 0.00 0.38 0.23 1.23 -1.01 0.00 0.00 177.57 178.40 1lua h GLY 43 N 1.85 0.83 1.66 3.17 0.00 -1.78 0.33 103.07 109.12 1lua h GLY 43 Ca -0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1lua h GLY 43 CO 0.05 -0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.40 1lua h ALA 44 N 1.40 1.25 -0.24 3.60 0.00 -1.85 -1.45 119.26 121.97 1lua h ALA 44 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1lua h ALA 44 Cb 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1lua h ALA 44 CO -0.29 0.49 0.05 1.88 0.00 0.00 0.00 179.25 181.39 1lua h TYR 45 N 0.38 0.41 -0.92 0.00 0.99 -1.27 -2.96 116.97 113.59 1lua h TYR 45 Ca 0.07 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1lua h TYR 45 Cb 0.54 -0.11 -0.04 0.00 1.00 0.00 0.00 36.73 38.11 1lua h TYR 45 CO 0.01 0.49 0.56 0.28 -0.00 0.00 0.00 178.16 179.51 1lua h VAL 46 N 0.20 1.25 -0.98 -2.88 2.07 -0.60 -1.44 116.25 113.88 1lua h VAL 46 Ca 0.07 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 67.19 1lua h VAL 46 Cb 0.29 -0.05 -0.09 0.00 -1.52 0.00 0.00 31.29 29.92 1lua h VAL 46 CO 0.00 0.26 0.60 0.44 0.02 0.00 0.00 177.57 178.89 1lua h ASP 47 N 1.26 0.85 0.16 0.57 3.32 -1.12 0.20 116.42 121.66 1lua h ASP 47 Ca 0.33 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1lua h ASP 47 Cb -0.07 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1lua h ASP 47 CO -0.06 0.42 -0.05 1.23 -1.72 0.00 0.00 179.24 179.06 1lua h GLY 48 N 0.91 0.00 0.85 2.75 0.00 -1.11 -2.50 103.07 103.96 1lua h GLY 48 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1lua h GLY 48 CO -0.30 0.00 -1.03 -1.30 0.00 0.00 0.00 176.54 173.92 1lua n THR 49 N -3.68 0.41 0.72 4.70 -2.24 0.66 -4.23 114.28 110.63 1lua n THR 49 Ca -0.02 -0.42 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 1lua n THR 49 Cb 0.15 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.20 1lua n THR 49 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1lua n ILE 50 N -2.37 0.00 -0.02 2.28 -5.35 -0.95 -4.55 119.36 108.40 1lua n ILE 50 Ca 0.01 -0.26 0.01 0.00 -0.27 0.00 0.00 62.75 62.24 1lua n ILE 50 Cb 0.51 1.12 0.02 0.00 -1.74 0.00 0.00 39.64 39.55 1lua n ILE 50 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1lua n TYR 51 N -0.59 0.07 0.25 4.28 0.53 -0.98 -4.69 117.16 116.04 1lua n TYR 51 Ca 0.05 -0.48 0.07 0.00 -1.02 0.00 0.00 57.90 56.52 1lua n TYR 51 Cb 0.30 -0.04 -0.10 0.00 -1.03 0.00 0.00 39.34 38.47 1lua n TYR 51 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1lua n THR 52 N -0.32 0.00 -4.12 -0.72 -2.24 -1.26 -5.02 114.28 100.60 1lua n THR 52 Ca 0.02 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.41 1lua n THR 52 Cb 0.27 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.87 1lua n THR 52 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1lua s ARG 53 N -2.76 0.70 0.28 -0.78 0.52 -1.26 -5.12 118.95 110.52 1lua s ARG 53 Ca -0.01 -1.08 0.02 0.00 -0.52 0.00 0.00 55.73 54.14 1lua s ARG 53 Cb 0.10 -0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.28 1lua s ARG 53 CO 0.60 0.01 0.13 0.20 0.02 0.00 0.00 175.30 176.26 1lua s GLY 54 N -2.40 1.89 0.00 -3.53 0.00 -1.26 -4.67 107.32 97.35 1lua s GLY 54 Ca 0.02 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.95 1lua s GLY 54 CO -0.02 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1lua n GLY 55 N -0.52 3.15 0.04 0.20 0.00 -1.26 -1.36 105.19 105.44 1lua n GLY 55 Ca 0.00 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1lua n GLY 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lua n LYS 56 N 14.00 0.06 0.15 1.61 4.81 -1.26 -2.63 118.16 134.91 1lua n LYS 56 Ca 0.00 0.23 0.12 0.00 -0.87 0.00 0.00 58.31 57.79 1lua n LYS 56 Cb 0.00 -1.61 0.24 0.00 0.02 0.00 0.00 35.03 33.68 1lua n LYS 56 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1lua h GLU 57 N 0.00 0.00 -0.54 1.64 3.07 -1.60 -3.35 114.58 113.80 1lua h GLU 57 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 58.97 1lua h GLU 57 Cb 0.38 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.18 1lua h GLU 57 CO 0.00 0.00 -0.14 0.87 -1.40 0.00 0.00 179.01 178.34 1lua h LYS 58 N 0.00 -0.01 0.00 2.33 1.79 -1.48 -1.53 116.57 117.68 1lua h LYS 58 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1lua h LYS 58 Cb 0.88 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1lua h LYS 58 CO 0.00 -0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 1lua n GLN 59 N -5.38 0.10 -0.05 3.15 10.64 -1.26 -2.80 117.38 121.78 1lua n GLN 59 Ca 0.05 0.22 0.10 0.00 -1.83 0.00 0.00 57.00 55.54 1lua n GLN 59 Cb 0.29 -1.50 0.43 0.00 -0.86 0.00 0.00 30.24 28.60 1lua n GLN 59 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1lua n SER 60 N -1.37 1.01 -4.22 2.61 7.64 -0.57 -4.31 113.62 114.41 1lua n SER 60 Ca 0.05 -1.61 -0.28 0.00 1.01 0.00 0.00 58.87 58.04 1lua n SER 60 Cb 0.12 -0.07 -0.16 0.00 -1.01 0.00 0.00 64.21 63.09 1lua n SER 60 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1lua s THR 61 N -1.87 1.72 0.13 0.44 2.01 -1.12 -0.50 115.64 116.45 1lua s THR 61 Ca 0.30 -0.90 -0.08 0.00 0.31 0.00 0.00 61.69 61.32 1lua s THR 61 Cb 0.15 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1lua s THR 61 CO 0.24 0.49 0.22 0.00 -0.69 0.00 0.00 174.62 174.88 1lua s ALA 62 N -0.26 0.01 -0.02 7.40 0.00 -0.61 -4.29 121.76 123.99 1lua s ALA 62 Ca 0.02 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1lua s ALA 62 Cb -0.11 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 1lua s ALA 62 CO 0.01 -0.58 -0.24 0.42 0.00 0.00 0.00 175.76 175.37 1lua s ILE 63 N -3.94 1.94 -0.09 0.00 1.01 -0.48 -0.77 121.20 118.87 1lua s ILE 63 Ca 0.13 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1lua s ILE 63 Cb 0.04 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.92 1lua s ILE 63 CO -0.04 0.55 -0.09 0.12 0.00 0.00 0.00 174.94 175.48 1lua s PHE 64 N -0.53 1.38 -0.17 3.97 5.36 -0.42 -1.00 117.98 126.57 1lua s PHE 64 Ca 0.08 -0.60 -0.05 0.00 -0.96 0.00 0.00 56.93 55.40 1lua s PHE 64 Cb -0.10 -1.11 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1lua s PHE 64 CO -0.00 -0.40 -0.01 0.08 -1.46 0.00 0.00 175.22 173.43 1lua s VAL 65 N 1.30 4.11 0.01 3.12 1.01 0.60 -0.98 120.40 129.57 1lua s VAL 65 Ca -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 1lua s VAL 65 Cb -0.14 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1lua s VAL 65 CO -0.03 0.48 0.02 0.61 0.00 0.00 0.00 175.10 176.17 1lua n GLY 66 N 3.62 3.17 0.00 4.51 0.00 -0.21 -1.81 105.19 114.47 1lua n GLY 66 Ca -0.17 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1lua n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lua n GLY 67 N -0.02 2.49 0.14 -0.02 0.00 -1.26 -1.61 105.19 104.91 1lua n GLY 67 Ca 0.00 -1.93 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 1lua n GLY 67 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1lua h GLY 68 N 0.00 0.00 -7.59 -0.02 0.00 -1.94 0.14 103.07 93.66 1lua h GLY 68 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 1lua h GLY 68 CO 0.00 0.00 -0.50 -0.35 0.00 0.00 0.00 176.54 175.69 1lua s ASP 69 N -6.72 5.84 0.17 0.19 2.15 -1.26 -4.61 116.67 112.43 1lua s ASP 69 Ca -0.01 -0.69 -0.14 0.00 0.43 0.00 0.00 52.55 52.15 1lua s ASP 69 Cb 0.12 -2.07 0.13 0.00 -0.30 0.00 0.00 42.92 40.79 1lua s ASP 69 CO 0.75 -0.30 1.76 -0.03 -0.17 0.00 0.00 175.17 177.18 1lua h MET 70 N 8.46 0.36 -0.78 4.34 1.85 -1.86 -1.63 114.93 125.69 1lua h MET 70 Ca -0.29 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 58.79 1lua h MET 70 Cb 1.13 -0.08 -0.04 0.00 0.43 0.00 0.00 31.60 33.04 1lua h MET 70 CO 0.65 0.24 0.51 0.00 -0.40 0.00 0.00 176.91 177.91 1lua h ALA 71 N 1.28 1.00 -0.69 0.39 0.00 -1.99 0.13 119.26 119.38 1lua h ALA 71 Ca 0.21 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1lua h ALA 71 Cb 0.18 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1lua h ALA 71 CO -0.19 0.37 0.20 0.00 0.00 0.00 0.00 179.25 179.62 1lua h ALA 72 N 1.30 0.91 -0.64 0.00 0.00 -1.92 -2.12 119.26 116.79 1lua h ALA 72 Ca 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1lua h ALA 72 Cb -0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1lua h ALA 72 CO -0.08 0.61 0.31 0.78 0.00 0.00 0.00 179.25 180.87 1lua h GLY 73 N 1.03 0.98 1.25 0.00 0.00 -0.46 -2.18 103.07 103.69 1lua h GLY 73 Ca 0.22 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1lua h GLY 73 CO -0.00 0.46 0.29 0.83 0.00 0.00 0.00 176.54 178.12 1lua h GLU 74 N 0.88 0.96 -0.48 4.80 5.08 -0.47 0.52 114.58 125.88 1lua h GLU 74 Ca 0.22 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1lua h GLU 74 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1lua h GLU 74 CO -0.03 0.77 0.19 0.00 -1.00 0.00 0.00 179.01 178.94 1lua h ARG 75 N 0.95 0.73 -0.35 2.33 3.08 -0.99 -0.83 114.38 119.30 1lua h ARG 75 Ca 0.23 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1lua h ARG 75 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1lua h ARG 75 CO -0.02 0.65 0.05 0.28 -1.07 0.00 0.00 179.97 179.86 1lua h VAL 76 N 0.64 1.24 -0.90 2.04 2.07 -0.98 -2.29 116.25 118.08 1lua h VAL 76 Ca 0.16 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1lua h VAL 76 Cb 0.20 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 1lua h VAL 76 CO -0.01 0.29 0.55 0.15 0.02 0.00 0.00 177.57 178.57 1lua h PHE 77 N 0.42 1.02 -0.48 1.57 3.57 -0.58 -0.18 116.94 122.28 1lua h PHE 77 Ca 0.11 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 1lua h PHE 77 Cb 0.37 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1lua h PHE 77 CO 0.03 0.49 -0.08 0.93 -2.23 0.00 0.00 178.31 177.44 1lua h GLU 78 N 0.97 0.85 -0.27 1.11 4.39 -1.03 -2.10 114.58 118.51 1lua h GLU 78 Ca 0.41 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 1lua h GLU 78 Cb 0.25 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1lua h GLU 78 CO -0.20 0.90 -0.22 0.00 -1.16 0.00 0.00 179.01 178.33 1lua h ALA 79 N 1.13 1.13 -0.14 3.43 0.00 -0.68 -0.94 119.26 123.19 1lua h ALA 79 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1lua h ALA 79 Cb 0.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1lua h ALA 79 CO 0.04 0.54 0.02 0.28 0.00 0.00 0.00 179.25 180.13 1lua h VAL 80 N 0.44 1.23 -0.16 0.00 2.07 -0.80 -2.43 116.25 116.60 1lua h VAL 80 Ca 0.07 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 1lua h VAL 80 Cb 0.62 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1lua h VAL 80 CO 0.04 0.22 -0.21 0.11 0.02 0.00 0.00 177.57 177.75 1lua h LYS 81 N 0.01 0.27 0.00 1.57 1.57 -1.20 -2.56 116.57 116.23 1lua h LYS 81 Ca 0.04 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1lua h LYS 81 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1lua h LYS 81 CO 0.00 0.48 -0.33 -0.22 -0.57 0.00 0.00 179.45 178.81 1lua h LYS 82 N 0.25 0.00 0.00 3.15 3.64 -1.05 -2.81 116.57 119.75 1lua h LYS 82 Ca 0.04 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1lua h LYS 82 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1lua h LYS 82 CO 0.03 0.33 -0.43 -0.09 -2.27 0.00 0.00 179.45 177.02 1lua h ARG 83 N 0.00 0.00 -7.26 1.90 9.65 -1.01 -3.45 114.38 114.22 1lua h ARG 83 Ca -0.00 0.00 -0.52 0.00 -1.10 0.00 0.00 59.98 58.36 1lua h ARG 83 Cb 0.71 0.00 0.14 0.00 -1.39 0.00 0.00 29.97 29.44 1lua h ARG 83 CO 0.04 0.43 0.32 -0.06 2.80 0.00 0.00 179.97 183.51 1lua s PHE 84 N -3.18 2.29 -0.29 2.20 0.08 -1.06 -5.03 117.98 112.99 1lua s PHE 84 Ca 0.03 1.62 -0.16 0.00 0.12 0.00 0.00 56.93 58.54 1lua s PHE 84 Cb 0.08 -3.20 0.13 0.00 -0.57 0.00 0.00 43.02 39.46 1lua s PHE 84 CO 0.72 -2.13 0.89 -0.59 -0.10 0.00 0.00 175.22 174.01 1lua s PHE 85 N -2.59 -0.74 0.00 0.36 -0.12 -1.09 -5.04 117.98 108.76 1lua s PHE 85 Ca 0.66 1.46 0.00 0.00 -0.05 0.00 0.00 56.93 59.00 1lua s PHE 85 Cb -0.21 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.62 1lua s PHE 85 CO 0.52 -0.37 0.00 0.41 -0.05 0.00 0.00 175.22 175.73 1lua n GLY 86 N 3.98 3.35 0.10 1.99 0.00 -1.26 -1.75 105.19 111.60 1lua n GLY 86 Ca -0.18 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1lua n GLY 86 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1lua n PRO 87 N 13.93 0.65 -2.69 1.61 -0.04 -1.26 -4.64 135.00 142.56 1lua n PRO 87 Ca 0.00 -0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 1lua n PRO 87 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1lua n PRO 87 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1lua s PHE 88 N -2.49 2.81 0.07 0.54 0.40 -0.72 -4.89 117.98 113.71 1lua s PHE 88 Ca 0.29 -1.22 -0.27 0.00 -0.60 0.00 0.00 56.93 55.13 1lua s PHE 88 Cb 0.20 -4.56 0.08 0.00 0.51 0.00 0.00 43.02 39.25 1lua s PHE 88 CO 0.47 -1.75 0.87 -0.98 0.70 0.00 0.00 175.22 174.53 1lua s ARG 89 N 3.96 1.03 0.19 0.44 1.70 -1.26 -2.68 118.95 122.32 1lua s ARG 89 Ca 0.43 -0.45 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 1lua s ARG 89 Cb -0.01 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.75 1lua s ARG 89 CO -0.06 -0.46 0.08 0.14 -1.08 0.00 0.00 175.30 173.92 1lua s VAL 90 N -3.28 0.28 0.50 4.99 -7.23 -1.18 -4.82 120.40 109.67 1lua s VAL 90 Ca 0.07 -1.97 -0.21 0.00 -1.81 0.00 0.00 61.98 58.06 1lua s VAL 90 Cb -0.01 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 1lua s VAL 90 CO -0.06 -0.21 1.12 -0.44 -0.31 0.00 0.00 175.10 175.20 1lua s SER 91 N -3.17 6.01 0.05 4.85 0.01 -1.21 -4.59 113.70 115.65 1lua s SER 91 Ca 0.32 2.15 -0.03 0.00 1.31 0.00 0.00 55.95 59.71 1lua s SER 91 Cb 0.07 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1lua s SER 91 CO 0.08 -1.02 0.02 0.00 0.41 0.00 0.00 173.24 172.73 1lua s MET 93 N -3.16 0.19 -0.12 0.00 1.75 -0.17 -0.44 119.30 117.35 1lua s MET 93 Ca -0.00 -0.33 0.03 0.00 -1.25 0.00 0.00 55.69 54.14 1lua s MET 93 Cb 0.02 0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.77 1lua s MET 93 CO -0.07 -0.03 -0.23 -1.17 -0.65 0.00 0.00 175.02 172.87 1lua s LEU 94 N -0.83 2.08 -0.35 4.11 2.96 -0.70 -0.29 118.68 125.65 1lua s LEU 94 Ca -0.09 -0.57 0.13 0.00 -0.22 0.00 0.00 54.13 53.38 1lua s LEU 94 Cb -0.06 -1.40 0.42 0.00 0.50 0.00 0.00 46.19 45.65 1lua s LEU 94 CO -0.00 0.12 1.39 -0.67 -1.32 0.00 0.00 176.35 175.86 1lua n ASP 95 N 3.77 -1.09 -4.66 3.68 2.03 -0.75 -4.75 116.55 114.78 1lua n ASP 95 Ca -0.19 -2.33 -0.53 0.00 0.52 0.00 0.00 54.79 52.25 1lua n ASP 95 Cb 0.52 0.60 -0.06 0.00 -0.72 0.00 0.00 41.12 41.46 1lua n ASP 95 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1lua n SER 96 N -0.98 2.35 -1.61 1.67 7.64 -1.25 -0.56 113.62 120.87 1lua n SER 96 Ca -0.08 1.08 -0.18 0.00 1.01 0.00 0.00 58.87 60.70 1lua n SER 96 Cb 0.86 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.77 1lua n SER 96 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1lua n ASN 97 N 4.38 -4.76 -1.17 6.43 4.05 0.50 -1.61 115.26 123.07 1lua n ASN 97 Ca 0.22 0.40 -0.15 0.00 0.45 0.00 0.00 54.58 55.51 1lua n ASN 97 Cb 0.19 -4.24 -0.06 0.00 1.23 0.00 0.00 39.78 36.90 1lua n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1lua n GLY 98 N -0.40 1.37 0.28 8.20 0.00 0.28 -4.91 105.19 110.01 1lua n GLY 98 Ca -0.18 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 1lua n GLY 98 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1lua h SER 99 N 0.00 0.91 -0.09 1.61 0.02 -1.46 -1.25 113.55 113.30 1lua h SER 99 Ca -0.31 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.36 1lua h SER 99 Cb 0.98 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1lua h SER 99 CO 0.44 0.90 -0.16 0.78 -1.14 0.00 0.00 176.83 177.65 1lua h ASN 100 N 0.88 0.29 0.47 3.07 2.35 -1.85 -2.43 115.58 118.35 1lua h ASN 100 Ca 0.19 -0.56 -0.10 0.00 -0.55 0.00 0.00 56.30 55.29 1lua h ASN 100 Cb 0.34 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1lua h ASN 100 CO 0.00 0.79 -0.46 0.71 -1.65 0.00 0.00 177.43 176.83 1lua h THR 101 N -0.20 1.31 -0.05 2.81 1.35 -1.89 -1.14 112.91 115.10 1lua h THR 101 Ca 0.00 -1.57 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 1lua h THR 101 Cb 0.74 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1lua h THR 101 CO 0.04 0.45 -0.12 0.74 -0.25 0.00 0.00 175.52 176.38 1lua h THR 102 N 0.00 1.43 -0.54 6.82 2.02 -1.27 -1.78 112.91 119.58 1lua h THR 102 Ca -0.00 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.64 1lua h THR 102 Cb 0.81 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 69.45 1lua h THR 102 CO 0.06 0.40 -0.02 0.00 0.37 0.00 0.00 175.52 176.32 1lua h ALA 103 N 0.47 0.74 -0.63 6.16 0.00 -1.39 -1.88 119.26 122.72 1lua h ALA 103 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1lua h ALA 103 Cb 0.70 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1lua h ALA 103 CO 0.03 0.58 0.26 0.00 0.00 0.00 0.00 179.25 180.11 1lua h ALA 104 N 0.95 0.82 -0.44 0.00 0.00 -1.26 -1.58 119.26 117.76 1lua h ALA 104 Ca 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1lua h ALA 104 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1lua h ALA 104 CO 0.03 0.44 0.15 0.00 0.00 0.00 0.00 179.25 179.87 1lua h ALA 105 N 1.10 0.57 0.01 0.00 0.00 -1.22 -1.39 119.26 118.34 1lua h ALA 105 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lua h ALA 105 Cb 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lua h ALA 105 CO -0.02 0.21 -0.01 0.78 0.00 0.00 0.00 179.25 180.21 1lua h GLY 106 N 0.57 -0.02 1.11 0.00 0.00 -1.18 -1.74 103.07 101.81 1lua h GLY 106 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.39 1lua h GLY 106 CO -0.01 -0.01 0.02 -2.08 0.00 0.00 0.00 176.54 174.47 1lua h VAL 107 N -0.07 1.26 -0.71 4.60 2.07 -1.29 -2.60 116.25 119.53 1lua h VAL 107 Ca -0.00 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1lua h VAL 107 Cb 0.06 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1lua h VAL 107 CO 0.00 0.41 0.38 0.00 0.02 0.00 0.00 177.57 178.39 1lua h ALA 108 N 1.03 0.90 -0.42 1.67 0.00 -1.13 -0.60 119.26 120.71 1lua h ALA 108 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1lua h ALA 108 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1lua h ALA 108 CO 0.03 0.42 0.16 -0.07 0.00 0.00 0.00 179.25 179.79 1lua h LEU 109 N 0.97 0.58 -0.47 0.00 3.38 -1.17 -1.95 115.31 116.65 1lua h LEU 109 Ca 0.25 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1lua h LEU 109 Cb 0.04 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1lua h LEU 109 CO -0.04 0.60 0.05 0.58 0.09 0.00 0.00 178.44 179.72 1lua h VAL 110 N 0.53 1.25 -0.79 1.22 2.07 -1.26 -1.38 116.25 117.90 1lua h VAL 110 Ca 0.14 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 1lua h VAL 110 Cb 0.20 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1lua h VAL 110 CO -0.01 0.34 0.30 0.58 0.02 0.00 0.00 177.57 178.80 1lua h VAL 111 N 0.66 1.26 -0.41 2.57 2.07 -1.00 -0.05 116.25 121.36 1lua h VAL 111 Ca 0.14 -0.85 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1lua h VAL 111 Cb 0.43 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1lua h VAL 111 CO 0.01 0.35 -0.07 0.50 0.02 0.00 0.00 177.57 178.38 1lua h LYS 112 N 1.16 0.76 0.00 1.57 3.64 -1.25 0.68 116.57 123.13 1lua h LYS 112 Ca 0.26 -0.28 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1lua h LYS 112 Cb 0.24 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1lua h LYS 112 CO -0.02 0.88 -0.15 0.00 -2.27 0.00 0.00 179.45 177.89 1lua h ALA 113 N 0.86 1.39 -0.16 5.00 0.00 -0.93 -1.45 119.26 123.97 1lua h ALA 113 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1lua h ALA 113 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1lua h ALA 113 CO 0.03 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1lua n ALA 114 N -2.34 2.52 -0.37 0.00 0.00 -0.06 -4.85 120.51 115.40 1lua n ALA 114 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1lua n ALA 114 Cb 0.25 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1lua n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lua n GLY 115 N 0.67 0.76 0.61 0.00 0.00 -0.55 -4.10 105.19 102.59 1lua n GLY 115 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1lua n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lua n GLY 116 N -2.22 0.61 3.12 -0.02 0.00 0.18 -5.00 105.19 101.85 1lua n GLY 116 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1lua n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lua s SER 117 N -2.74 -0.25 -0.01 1.61 0.15 -1.25 -4.92 113.70 106.29 1lua s SER 117 Ca 0.00 0.48 0.01 0.00 0.70 0.00 0.00 55.95 57.14 1lua s SER 117 Cb 0.00 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 1lua s SER 117 CO 0.00 -0.09 0.77 1.33 1.20 0.00 0.00 173.24 176.45 1lua n VAL 118 N 3.00 0.51 -1.66 4.45 0.24 -1.26 -4.88 118.33 118.72 1lua n VAL 118 Ca -0.13 -0.53 -0.46 0.00 -2.04 0.00 0.00 64.34 61.18 1lua n VAL 118 Cb 0.58 0.71 -0.04 0.00 -1.47 0.00 0.00 33.84 33.62 1lua n VAL 118 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1lua n LYS 119 N -0.28 2.05 -0.35 7.34 4.81 -1.23 -1.76 118.16 128.74 1lua n LYS 119 Ca 0.01 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1lua n LYS 119 Cb 0.41 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 32.99 1lua n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lua n GLY 120 N 2.96 2.24 3.96 3.14 0.00 -0.36 -4.92 105.19 112.22 1lua n GLY 120 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1lua n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lua s LYS 121 N -0.01 3.46 -0.18 1.61 1.02 -0.72 -4.79 119.74 120.12 1lua s LYS 121 Ca 0.00 -0.60 -0.18 0.00 0.02 0.00 0.00 55.97 55.21 1lua s LYS 121 Cb 0.00 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.46 1lua s LYS 121 CO 0.00 0.33 0.48 0.21 -0.92 0.00 0.00 175.35 175.45 1lua s LYS 122 N -4.07 4.21 -0.09 1.68 2.20 -1.26 -0.72 119.74 121.69 1lua s LYS 122 Ca 0.36 0.37 0.04 0.00 -0.36 0.00 0.00 55.97 56.38 1lua s LYS 122 Cb -0.09 -3.53 -0.00 0.00 -1.51 0.00 0.00 37.83 32.69 1lua s LYS 122 CO 0.31 -0.06 -0.24 0.00 -0.36 0.00 0.00 175.35 175.00 1lua s ALA 123 N 1.36 2.14 -0.13 3.13 0.00 0.06 -0.98 121.76 127.34 1lua s ALA 123 Ca 0.23 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1lua s ALA 123 Cb -0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1lua s ALA 123 CO 0.09 0.30 -0.15 0.08 0.00 0.00 0.00 175.76 176.09 1lua s VAL 124 N 0.29 2.90 -0.40 0.00 1.01 -0.06 -1.93 120.40 122.20 1lua s VAL 124 Ca -0.17 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1lua s VAL 124 Cb -0.17 -2.21 0.08 0.00 0.00 0.00 0.00 36.38 34.08 1lua s VAL 124 CO 0.08 0.53 0.21 -0.69 0.00 0.00 0.00 175.10 175.23 1lua s VAL 125 N 0.40 3.83 0.29 2.92 1.01 -0.49 -1.07 120.40 127.29 1lua s VAL 125 Ca -0.11 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.02 1lua s VAL 125 Cb -0.16 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 1lua s VAL 125 CO 0.06 -0.49 1.05 -0.76 0.00 0.00 0.00 175.10 174.95 1lua s LEU 126 N 1.33 4.52 -1.55 3.92 1.43 0.57 -1.65 118.68 127.26 1lua s LEU 126 Ca 0.03 2.16 -0.13 0.00 -1.03 0.00 0.00 54.13 55.17 1lua s LEU 126 Cb -0.22 -3.70 0.09 0.00 0.03 0.00 0.00 46.19 42.39 1lua s LEU 126 CO 0.00 -0.11 0.85 0.00 0.23 0.00 0.00 176.35 177.32 1lua n ALA 127 N 1.09 -1.41 0.84 4.21 0.00 -0.89 -1.71 120.51 122.64 1lua n ALA 127 Ca -0.01 0.06 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1lua n ALA 127 Cb 0.46 -3.70 0.05 0.00 0.00 0.00 0.00 19.45 16.26 1lua n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lua n GLY 128 N -1.63 1.45 0.10 0.00 0.00 -0.23 -4.04 105.19 100.85 1lua n GLY 128 Ca -0.01 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1lua n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1lua n THR 129 N 0.05 0.00 -2.25 2.61 -2.24 -1.26 -2.34 114.28 108.85 1lua n THR 129 Ca 0.04 -0.05 -0.26 0.00 -2.27 0.00 0.00 64.05 61.51 1lua n THR 129 Cb 0.35 0.06 0.09 0.00 -2.10 0.00 0.00 70.33 68.73 1lua n THR 129 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1lua s GLY 130 N -2.68 1.72 0.39 3.38 0.00 -1.26 -4.82 107.32 104.05 1lua s GLY 130 Ca 0.21 -1.11 0.05 0.00 0.00 0.00 0.00 44.72 43.88 1lua s GLY 130 CO 0.55 -0.63 2.04 -0.56 0.00 0.00 0.00 173.10 174.49 1lua h PRO 131 N -0.70 0.63 -0.22 2.90 0.13 -1.95 0.23 132.00 133.02 1lua h PRO 131 Ca -0.43 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.53 1lua h PRO 131 Cb 1.30 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1lua h PRO 131 CO 0.54 0.43 -0.37 0.28 -0.23 0.00 0.00 178.00 178.64 1lua h VAL 132 N 0.65 1.32 -0.51 1.56 2.07 -1.92 -1.59 116.25 117.84 1lua h VAL 132 Ca 0.17 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 1lua h VAL 132 Cb -0.06 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1lua h VAL 132 CO -0.04 0.50 0.25 1.23 0.02 0.00 0.00 177.57 179.53 1lua h GLY 133 N 0.35 0.78 1.07 2.17 0.00 -1.69 -0.29 103.07 105.46 1lua h GLY 133 Ca 0.02 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1lua h GLY 133 CO 0.08 0.36 0.00 -0.33 0.00 0.00 0.00 176.54 176.66 1lua h MET 134 N 0.67 1.04 -0.25 4.80 2.86 -0.56 -1.58 114.93 121.91 1lua h MET 134 Ca 0.17 -0.33 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1lua h MET 134 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1lua h MET 134 CO -0.02 1.02 -0.41 0.00 1.06 0.00 0.00 176.91 178.56 1lua h ARG 135 N 0.93 0.61 -0.52 1.72 2.47 -1.19 -1.85 114.38 116.55 1lua h ARG 135 Ca 0.17 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1lua h ARG 135 Cb 0.55 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 1lua h ARG 135 CO 0.03 0.91 0.26 0.77 0.56 0.00 0.00 179.97 182.50 1lua h SER 136 N 0.50 0.67 -0.81 7.04 0.02 -0.86 -2.12 113.55 117.99 1lua h SER 136 Ca 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.85 1lua h SER 136 Cb 0.92 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.25 1lua h SER 136 CO 0.08 0.60 0.42 0.00 -1.14 0.00 0.00 176.83 176.80 1lua h ALA 137 N 1.10 1.04 -0.63 3.77 0.00 -1.11 -1.96 119.26 121.47 1lua h ALA 137 Ca 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1lua h ALA 137 Cb 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1lua h ALA 137 CO -0.02 0.57 0.29 0.00 0.00 0.00 0.00 179.25 180.09 1lua h ALA 138 N 1.22 0.81 -0.21 0.00 0.00 -0.99 -0.72 119.26 119.36 1lua h ALA 138 Ca 0.28 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.87 1lua h ALA 138 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1lua h ALA 138 CO -0.04 0.38 -0.60 -0.07 0.00 0.00 0.00 179.25 178.92 1lua h LEU 139 N 0.86 0.79 -0.39 0.00 3.38 -1.18 -1.44 115.31 117.33 1lua h LEU 139 Ca 0.21 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1lua h LEU 139 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1lua h LEU 139 CO -0.03 1.21 0.15 -0.07 0.09 0.00 0.00 178.44 179.79 1lua h LEU 140 N 0.53 0.55 -1.00 1.67 3.38 -1.28 -2.19 115.31 116.98 1lua h LEU 140 Ca -0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1lua h LEU 140 Cb 1.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1lua h LEU 140 CO 0.12 0.58 0.06 0.00 0.09 0.00 0.00 178.44 179.29 1lua h ALA 141 N 0.99 1.18 0.00 1.53 0.00 -1.07 -1.44 119.26 120.45 1lua h ALA 141 Ca 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1lua h ALA 141 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1lua h ALA 141 CO -0.01 0.55 -0.06 0.78 0.00 0.00 0.00 179.25 180.51 1lua h GLY 142 N 0.96 0.00 0.11 0.00 0.00 -0.87 -0.13 103.07 103.14 1lua h GLY 142 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 1lua h GLY 142 CO 0.01 0.00 -0.00 1.18 0.00 0.00 0.00 176.54 177.72 1lua n GLU 143 N -3.54 1.39 -0.53 4.80 -0.58 -0.58 -4.91 120.64 116.69 1lua n GLU 143 Ca -0.02 -0.59 0.00 0.00 -0.42 0.00 0.00 57.16 56.13 1lua n GLU 143 Cb 0.18 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1lua n GLU 143 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lua n GLY 144 N 1.11 0.72 3.88 0.62 0.00 -0.06 -3.57 105.19 107.89 1lua n GLY 144 Ca 0.21 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1lua n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lua s ALA 145 N -2.00 3.05 -0.39 4.61 0.00 -0.97 -1.23 121.76 124.84 1lua s ALA 145 Ca 0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 51.96 51.52 1lua s ALA 145 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1lua s ALA 145 CO 0.00 -0.87 0.42 -1.21 0.00 0.00 0.00 175.76 174.10 1lua s GLU 146 N -5.21 3.31 -0.14 0.00 2.02 0.10 -4.54 118.70 114.24 1lua s GLU 146 Ca 0.56 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.92 1lua s GLU 146 Cb -0.11 -3.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.19 1lua s GLU 146 CO 0.52 -0.72 0.01 0.08 0.02 0.00 0.00 175.26 175.17 1lua s VAL 147 N 2.12 4.37 -0.21 2.63 1.01 -1.26 -0.76 120.40 128.30 1lua s VAL 147 Ca 0.13 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1lua s VAL 147 Cb -0.17 -2.91 0.04 0.00 0.00 0.00 0.00 36.38 33.34 1lua s VAL 147 CO 0.13 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.92 1lua s VAL 148 N -0.08 2.01 -0.35 2.92 1.01 -0.81 -1.44 120.40 123.65 1lua s VAL 148 Ca 0.04 -1.21 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 1lua s VAL 148 Cb -0.13 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1lua s VAL 148 CO 0.02 0.25 0.50 -0.22 0.00 0.00 0.00 175.10 175.65 1lua s LEU 149 N 1.24 4.37 0.14 3.92 0.20 0.19 -1.39 118.68 127.36 1lua s LEU 149 Ca -0.02 -0.07 0.04 0.00 0.69 0.00 0.00 54.13 54.78 1lua s LEU 149 Cb -0.16 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 42.99 1lua s LEU 149 CO -0.09 -0.48 0.14 0.00 -0.29 0.00 0.00 176.35 175.63 1lua s GLY 151 N -2.97 -0.30 0.48 0.00 0.00 -1.10 -1.07 107.32 102.37 1lua s GLY 151 Ca 0.31 0.14 0.32 0.00 0.00 0.00 0.00 44.72 45.49 1lua s GLY 151 CO 0.24 0.04 1.97 3.21 0.00 0.00 0.00 173.10 178.56 1lua h ARG 152 N 2.00 0.00 -4.16 2.90 3.08 -1.90 0.80 114.38 117.11 1lua h ARG 152 Ca -0.24 0.00 -0.41 0.00 0.07 0.00 0.00 59.98 59.39 1lua h ARG 152 Cb 1.26 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.98 1lua h ARG 152 CO 0.28 0.00 -0.78 0.15 -1.07 0.00 0.00 179.97 178.56 1lua s LYS 153 N -3.68 0.88 0.22 0.04 -0.14 -1.26 -4.26 119.74 111.54 1lua s LYS 153 Ca -0.00 -0.16 -0.08 0.00 -1.36 0.00 0.00 55.97 54.36 1lua s LYS 153 Cb 0.10 -0.85 0.19 0.00 -1.68 0.00 0.00 37.83 35.58 1lua s LYS 153 CO 0.43 -0.03 1.86 1.25 -0.76 0.00 0.00 175.35 178.11 1lua h LEU 154 N 6.95 1.02 -0.36 3.17 5.85 -1.88 -2.22 115.31 127.84 1lua h LEU 154 Ca -0.37 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1lua h LEU 154 Cb 1.16 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1lua h LEU 154 CO 0.48 0.79 0.24 -2.24 -0.34 0.00 0.00 178.44 177.37 1lua h ASP 155 N 1.16 0.42 -0.61 1.25 -0.00 -1.98 0.98 116.42 117.64 1lua h ASP 155 Ca 0.30 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.03 57.25 1lua h ASP 155 Cb -0.03 -0.10 -0.02 0.00 -0.00 0.00 0.00 39.33 39.17 1lua h ASP 155 CO -0.06 0.30 0.10 0.50 -0.00 0.00 0.00 179.24 180.09 1lua h LYS 156 N 0.49 1.00 -0.52 4.15 3.64 -1.97 -0.94 116.57 122.42 1lua h LYS 156 Ca 0.13 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.16 1lua h LYS 156 Cb -0.06 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 1lua h LYS 156 CO -0.03 0.94 -0.02 0.00 -2.27 0.00 0.00 179.45 178.07 1lua h ALA 157 N 1.02 0.99 -0.09 5.00 0.00 -1.09 -1.76 119.26 123.33 1lua h ALA 157 Ca 0.18 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1lua h ALA 157 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1lua h ALA 157 CO 0.01 0.62 -0.65 0.37 0.00 0.00 0.00 179.25 179.60 1lua h GLN 158 N 0.83 0.36 -0.64 0.00 5.75 -0.63 -1.99 115.11 118.80 1lua h GLN 158 Ca 0.15 -0.26 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 1lua h GLN 158 Cb 0.51 0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 1lua h GLN 158 CO 0.03 0.89 0.17 0.00 -2.65 0.00 0.00 178.83 177.26 1lua h ALA 159 N 1.05 1.10 -0.25 3.38 0.00 -0.96 0.19 119.26 123.76 1lua h ALA 159 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1lua h ALA 159 Cb 1.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1lua h ALA 159 CO 0.11 0.61 0.06 0.00 0.00 0.00 0.00 179.25 180.03 1lua h ALA 160 N 1.23 0.33 -0.72 0.00 0.00 -1.02 -0.43 119.26 118.65 1lua h ALA 160 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1lua h ALA 160 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1lua h ALA 160 CO -0.00 -0.01 0.20 0.00 0.00 0.00 0.00 179.25 179.44 1lua h ALA 161 N 0.88 0.98 -0.44 0.00 0.00 -1.13 -1.07 119.26 118.48 1lua h ALA 161 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1lua h ALA 161 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1lua h ALA 161 CO 0.00 0.67 0.27 -0.44 0.00 0.00 0.00 179.25 179.74 1lua h ASP 162 N 1.09 0.53 0.23 0.00 3.45 -0.71 0.20 116.42 121.21 1lua h ASP 162 Ca 0.23 -0.05 -0.00 0.00 0.43 0.00 0.00 57.03 57.64 1lua h ASP 162 Cb 0.34 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1lua h ASP 162 CO -0.00 0.43 -0.20 -1.28 -1.57 0.00 0.00 179.24 176.61 1lua h SER 163 N 0.58 -0.53 -0.55 6.45 0.87 -0.72 -1.24 113.55 118.41 1lua h SER 163 Ca 0.16 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.81 1lua h SER 163 Cb -0.00 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.09 1lua h SER 163 CO -0.03 -0.31 0.29 0.58 -0.53 0.00 0.00 176.83 176.84 1lua h VAL 164 N -0.45 0.97 -0.57 2.23 2.07 -1.00 -0.76 116.25 118.73 1lua h VAL 164 Ca -0.01 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1lua h VAL 164 Cb 0.41 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1lua h VAL 164 CO -0.03 0.10 0.11 0.78 0.02 0.00 0.00 177.57 178.56 1lua h ASN 165 N 0.56 0.85 -0.16 0.57 2.35 -0.41 -0.44 115.58 118.91 1lua h ASN 165 Ca 0.24 -0.17 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 1lua h ASN 165 Cb 0.14 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1lua h ASN 165 CO -0.16 0.85 -0.43 0.50 -1.65 0.00 0.00 177.43 176.54 1lua h LYS 166 N 0.86 0.57 -0.39 0.81 3.64 -0.94 -0.85 116.57 120.28 1lua h LYS 166 Ca 0.18 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 59.02 1lua h LYS 166 Cb 0.35 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1lua h LYS 166 CO 0.00 1.02 -0.32 -0.09 -2.27 0.00 0.00 179.45 177.80 1lua h ARG 167 N 0.21 0.90 -0.08 1.90 9.65 -0.95 -3.32 114.38 122.70 1lua h ARG 167 Ca -0.01 -0.45 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1lua h ARG 167 Cb 1.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.63 1lua h ARG 167 CO 0.09 1.10 0.00 1.19 2.80 0.00 0.00 179.97 185.15 1lua n PHE 168 N -4.13 0.08 -3.37 2.20 3.01 -0.19 -5.02 117.46 110.05 1lua n PHE 168 Ca -0.02 -0.07 -0.19 0.00 1.01 0.00 0.00 57.45 58.18 1lua n PHE 168 Cb 0.50 -0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.02 1lua n PHE 168 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1lua n LYS 169 N 0.75 -1.81 -3.05 -1.08 5.02 -0.34 -5.02 118.16 112.63 1lua n LYS 169 Ca 0.09 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.09 1lua n LYS 169 Cb 0.36 -5.23 -0.03 0.00 -0.02 0.00 0.00 35.03 30.10 1lua n LYS 169 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1lua n VAL 170 N -3.34 0.00 -3.23 -0.18 0.24 -1.15 -5.06 118.33 105.62 1lua n VAL 170 Ca -0.07 -1.11 -0.24 0.00 -2.04 0.00 0.00 64.34 60.88 1lua n VAL 170 Cb 0.60 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.40 1lua n VAL 170 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1lua n ASN 171 N -2.19 1.38 -4.77 -1.34 5.15 -1.26 -4.57 115.26 107.67 1lua n ASN 171 Ca 0.01 -2.98 -0.38 0.00 -0.60 0.00 0.00 54.58 50.63 1lua n ASN 171 Cb 0.28 -0.64 -0.05 0.00 -0.53 0.00 0.00 39.78 38.84 1lua n ASN 171 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1lua s VAL 172 N -1.88 3.73 0.24 3.44 1.01 -1.26 -4.80 120.40 120.88 1lua s VAL 172 Ca 0.38 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.96 1lua s VAL 172 Cb 0.20 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1lua s VAL 172 CO -0.08 0.21 0.21 0.28 0.00 0.00 0.00 175.10 175.71 1lua s THR 173 N -1.42 4.56 0.17 3.92 -1.32 -0.52 -4.87 115.64 116.16 1lua s THR 173 Ca 0.50 -1.31 0.10 0.00 -1.21 0.00 0.00 61.69 59.77 1lua s THR 173 Cb -0.26 -3.45 -0.04 0.00 -1.51 0.00 0.00 72.50 67.24 1lua s THR 173 CO 0.33 -0.32 -0.17 0.00 -2.21 0.00 0.00 174.62 172.24 1lua s ALA 174 N -2.07 2.72 -0.04 11.08 0.00 -1.26 -0.64 121.76 131.55 1lua s ALA 174 Ca 0.33 -1.52 -0.16 0.00 0.00 0.00 0.00 51.96 50.61 1lua s ALA 174 Cb -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.52 1lua s ALA 174 CO 0.25 0.48 0.36 0.00 0.00 0.00 0.00 175.76 176.85 1lua s ALA 175 N -1.57 -0.90 -0.16 0.00 0.00 -0.77 -4.89 121.76 113.47 1lua s ALA 175 Ca 0.22 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 52.59 1lua s ALA 175 Cb -0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1lua s ALA 175 CO 0.12 -0.25 0.35 -2.00 0.00 0.00 0.00 175.76 173.98 1lua s GLU 176 N -1.00 4.26 -0.39 0.00 2.12 -1.26 -2.69 118.70 119.74 1lua s GLU 176 Ca -0.11 0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.42 1lua s GLU 176 Cb -0.04 -3.45 0.14 0.00 0.26 0.00 0.00 34.13 31.03 1lua s GLU 176 CO 0.04 0.16 0.22 0.95 -0.54 0.00 0.00 175.26 176.09 1lua s THR 177 N 0.68 0.72 -0.43 -1.70 -4.23 0.28 -4.92 115.64 106.05 1lua s THR 177 Ca 0.19 -2.07 0.25 0.00 -1.18 0.00 0.00 61.69 58.88 1lua s THR 177 Cb -0.14 -1.52 0.33 0.00 1.34 0.00 0.00 72.50 72.52 1lua s THR 177 CO 0.06 -0.94 1.69 0.00 -0.54 0.00 0.00 174.62 174.89 1lua h ALA 178 N 6.92 1.00 -3.65 3.99 0.00 -1.77 -3.33 119.26 122.41 1lua h ALA 178 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1lua h ALA 178 Cb 0.95 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1lua h ALA 178 CO 0.37 0.00 -0.14 -0.40 0.00 0.00 0.00 179.25 179.08 1lua n ASP 179 N -2.92 -0.77 -0.09 0.00 3.85 -1.26 -4.95 116.55 110.40 1lua n ASP 179 Ca 0.04 -2.24 -0.07 0.00 -0.71 0.00 0.00 54.79 51.80 1lua n ASP 179 Cb 0.47 1.49 0.00 0.00 -1.35 0.00 0.00 41.12 41.74 1lua n ASP 179 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1lua h ASP 180 N 1.26 0.20 -0.72 -1.12 3.45 -1.96 -2.17 116.42 115.37 1lua h ASP 180 Ca -0.17 0.02 0.09 0.00 0.43 0.00 0.00 57.03 57.40 1lua h ASP 180 Cb 0.75 -0.01 -0.07 0.00 -0.56 0.00 0.00 39.33 39.44 1lua h ASP 180 CO 0.23 0.16 0.37 0.00 -1.57 0.00 0.00 179.24 178.43 1lua h ALA 181 N 1.18 0.99 -0.10 3.45 0.00 -1.99 -0.94 119.26 121.85 1lua h ALA 181 Ca 0.14 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 1lua h ALA 181 Cb 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1lua h ALA 181 CO -0.11 -0.02 -0.72 0.77 0.00 0.00 0.00 179.25 179.18 1lua h SER 182 N 0.64 0.57 -0.52 0.00 0.02 -1.85 -1.91 113.55 110.49 1lua h SER 182 Ca 0.35 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1lua h SER 182 Cb 0.34 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1lua h SER 182 CO -0.25 1.11 0.14 0.03 -1.14 0.00 0.00 176.83 176.71 1lua h ARG 183 N 0.33 0.83 -0.47 3.45 3.08 -1.10 0.24 114.38 120.74 1lua h ARG 183 Ca -0.03 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 1lua h ARG 183 Cb 1.30 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 1lua h ARG 183 CO 0.13 0.78 0.10 0.00 -1.07 0.00 0.00 179.97 179.91 1lua h ALA 184 N 1.01 1.28 -0.29 0.04 0.00 -1.09 -2.56 119.26 117.66 1lua h ALA 184 Ca 0.16 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1lua h ALA 184 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1lua h ALA 184 CO -0.00 0.50 -0.43 1.49 0.00 0.00 0.00 179.25 180.81 1lua h GLU 185 N 0.70 0.71 0.00 0.00 4.57 -0.94 -3.18 114.58 116.44 1lua h GLU 185 Ca 0.15 -0.38 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 1lua h GLU 185 Cb 0.29 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1lua h GLU 185 CO 0.00 1.00 -0.05 0.00 -1.18 0.00 0.00 179.01 178.78 1lua h ALA 186 N 0.95 1.25 -0.02 2.92 0.00 -0.53 -2.65 119.26 121.18 1lua h ALA 186 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lua h ALA 186 Cb 0.97 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1lua h ALA 186 CO 0.09 0.06 -0.17 1.33 0.00 0.00 0.00 179.25 180.56 1lua n VAL 187 N -3.51 0.00 -2.01 0.00 0.24 -1.17 -4.82 118.33 107.06 1lua n VAL 187 Ca -0.02 -0.33 -0.42 0.00 -2.04 0.00 0.00 64.34 61.53 1lua n VAL 187 Cb 0.16 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.60 1lua n VAL 187 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1lua s LYS 188 N -2.20 4.25 0.00 7.34 1.02 -1.00 -1.64 119.74 127.51 1lua s LYS 188 Ca 0.27 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.55 1lua s LYS 188 Cb 0.20 -3.15 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 1lua s LYS 188 CO 0.41 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1lua n GLY 189 N 3.10 1.99 3.84 -3.33 0.00 -1.26 -5.03 105.19 104.51 1lua n GLY 189 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1lua n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lua s ALA 190 N -2.98 3.05 -0.19 4.61 0.00 -0.65 -4.85 121.76 120.75 1lua s ALA 190 Ca 0.00 0.15 0.14 0.00 0.00 0.00 0.00 51.96 52.25 1lua s ALA 190 Cb 0.00 -3.12 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 1lua s ALA 190 CO 0.00 -0.34 0.10 0.72 0.00 0.00 0.00 175.76 176.24 1lua n HIS 191 N -1.80 0.15 -4.22 0.00 8.25 -0.15 -2.38 115.22 115.07 1lua n HIS 191 Ca 0.07 0.05 -0.18 0.00 -0.26 0.00 0.00 57.72 57.39 1lua n HIS 191 Cb 0.54 -1.03 -0.15 0.00 1.12 0.00 0.00 29.99 30.47 1lua n HIS 191 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1lua s PHE 192 N -2.51 0.67 -0.07 4.41 0.40 -0.86 -0.27 117.98 119.75 1lua s PHE 192 Ca -0.13 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1lua s PHE 192 Cb 0.07 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 43.10 1lua s PHE 192 CO 0.79 -0.09 -0.11 0.08 0.70 0.00 0.00 175.22 176.60 1lua s VAL 193 N 0.30 1.06 -0.07 -0.44 1.01 -1.09 -0.88 120.40 120.27 1lua s VAL 193 Ca -0.04 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.57 1lua s VAL 193 Cb -0.08 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1lua s VAL 193 CO -0.00 0.34 -0.20 -0.36 0.00 0.00 0.00 175.10 174.88 1lua s PHE 194 N 0.83 2.58 -0.28 5.22 0.40 -0.23 -1.05 117.98 125.44 1lua s PHE 194 Ca -0.12 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.56 1lua s PHE 194 Cb -0.15 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.74 1lua s PHE 194 CO 0.02 -0.15 0.02 0.95 0.70 0.00 0.00 175.22 176.76 1lua s THR 195 N -0.14 3.47 -0.36 0.64 -4.23 -0.30 -0.31 115.64 114.42 1lua s THR 195 Ca -0.03 -0.91 0.06 0.00 -1.18 0.00 0.00 61.69 59.63 1lua s THR 195 Cb -0.14 -2.81 0.45 0.00 1.34 0.00 0.00 72.50 71.33 1lua s THR 195 CO 0.04 0.08 1.23 0.00 -0.54 0.00 0.00 174.62 175.43 1lua n ALA 196 N 4.77 5.13 -1.82 3.99 0.00 -0.70 -1.87 120.51 130.01 1lua n ALA 196 Ca -0.15 -3.92 -0.29 0.00 0.00 0.00 0.00 53.44 49.08 1lua n ALA 196 Cb 0.47 -0.48 0.09 0.00 0.00 0.00 0.00 19.45 19.53 1lua n ALA 196 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1lua s GLY 197 N -3.45 1.60 0.94 0.00 0.00 -1.26 -4.62 107.32 100.53 1lua s GLY 197 Ca 0.51 -0.54 -0.11 0.00 0.00 0.00 0.00 44.72 44.58 1lua s GLY 197 CO -0.03 -0.07 1.00 0.00 0.00 0.00 0.00 173.10 174.00 1lua n ALA 198 N -3.33 -1.27 -1.78 3.20 0.00 -1.26 -4.71 120.51 111.36 1lua n ALA 198 Ca 0.07 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.51 1lua n ALA 198 Cb 0.60 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.93 1lua n ALA 198 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1lua s ILE 199 N -2.58 2.15 -0.63 0.00 2.07 -1.26 -3.52 121.20 117.44 1lua s ILE 199 Ca 0.65 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 60.04 1lua s ILE 199 Cb -0.23 -3.10 0.00 0.00 0.13 0.00 0.00 42.46 39.27 1lua s ILE 199 CO 0.60 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 174.28 1lua n GLY 200 N 0.52 0.15 3.09 1.50 0.00 -1.22 -5.03 105.19 104.21 1lua n GLY 200 Ca 0.02 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.23 1lua n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lua s LEU 201 N -2.03 2.05 -0.15 0.99 1.43 -1.16 -4.18 118.68 115.64 1lua s LEU 201 Ca 0.00 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 1lua s LEU 201 Cb 0.00 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 1lua s LEU 201 CO 0.00 0.13 0.35 -0.70 0.23 0.00 0.00 176.35 176.36 1lua s GLU 202 N -0.43 4.28 -0.03 1.70 2.12 -1.25 -3.25 118.70 121.84 1lua s GLU 202 Ca 0.04 0.19 0.06 0.00 0.36 0.00 0.00 54.97 55.63 1lua s GLU 202 Cb -0.05 -3.44 -0.09 0.00 0.26 0.00 0.00 34.13 30.81 1lua s GLU 202 CO -0.00 0.20 0.09 1.28 -0.54 0.00 0.00 175.26 176.29 1lua n LEU 203 N 3.66 0.00 -3.64 2.70 4.77 0.05 -4.94 117.00 119.61 1lua n LEU 203 Ca -0.10 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.58 1lua n LEU 203 Cb 0.52 0.07 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 1lua n LEU 203 CO 0.41 0.07 -0.29 -0.22 -1.33 0.00 0.00 177.39 176.03 1lua s LEU 204 N -3.91 1.99 0.75 2.23 2.96 -0.21 -4.88 118.68 117.60 1lua s LEU 204 Ca -0.03 -2.20 -0.15 0.00 -0.22 0.00 0.00 54.13 51.53 1lua s LEU 204 Cb 0.03 -0.78 0.04 0.00 0.50 0.00 0.00 46.19 45.98 1lua s LEU 204 CO 0.26 -0.32 1.10 -2.65 -1.32 0.00 0.00 176.35 173.42 1lua n PRO 205 N 4.08 0.46 -0.18 0.98 -0.02 -1.26 -1.20 135.00 137.86 1lua n PRO 205 Ca 0.06 0.22 -0.04 0.00 -2.02 0.00 0.00 63.50 61.72 1lua n PRO 205 Cb 0.37 -2.35 0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1lua n PRO 205 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1lua h GLN 206 N -0.42 -0.11 0.00 -0.52 4.15 -1.93 0.11 115.11 116.39 1lua h GLN 206 Ca -0.47 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1lua h GLN 206 Cb 1.32 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.03 1lua h GLN 206 CO 0.47 -0.07 0.00 0.00 -1.93 0.00 0.00 178.83 177.30 1lua n ALA 207 N -3.05 1.37 1.09 3.38 0.00 -1.26 -2.01 120.51 120.02 1lua n ALA 207 Ca 0.05 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1lua n ALA 207 Cb 0.33 -1.33 0.49 0.00 0.00 0.00 0.00 19.45 18.94 1lua n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lua n ALA 208 N -1.74 2.85 0.00 0.00 0.00 0.39 -4.37 120.51 117.64 1lua n ALA 208 Ca 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1lua n ALA 208 Cb 0.13 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1lua n ALA 208 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1lua n TRP 209 N -1.38 0.00 0.35 0.00 4.27 -0.89 -4.82 117.44 114.96 1lua n TRP 209 Ca 0.08 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.79 1lua n TRP 209 Cb 0.32 0.00 0.42 0.00 -1.36 0.00 0.00 31.31 30.69 1lua n TRP 209 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 1lua n GLN 210 N -1.61 0.12 -0.19 -2.67 6.02 -0.85 -2.22 117.38 115.99 1lua n GLN 210 Ca 0.00 0.42 0.10 0.00 -0.01 0.00 0.00 57.00 57.51 1lua n GLN 210 Cb 0.25 -1.76 0.20 0.00 1.02 0.00 0.00 30.24 29.94 1lua n GLN 210 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1lua n ASN 211 N -1.99 3.25 -4.33 1.08 5.03 -1.26 -4.86 115.26 112.17 1lua n ASN 211 Ca 0.02 -1.93 -0.43 0.00 0.87 0.00 0.00 54.58 53.11 1lua n ASN 211 Cb 0.16 -0.24 -0.08 0.00 -1.02 0.00 0.00 39.78 38.60 1lua n ASN 211 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1lua s GLU 212 N -1.28 2.84 0.51 3.52 2.56 -0.94 -4.98 118.70 120.93 1lua s GLU 212 Ca 0.34 -1.45 0.20 0.00 0.00 0.00 0.00 54.97 54.06 1lua s GLU 212 Cb 0.20 -4.03 1.28 0.00 2.00 0.00 0.00 34.13 33.57 1lua s GLU 212 CO 0.27 -1.05 2.06 0.66 -0.56 0.00 0.00 175.26 176.64 1lua h SER 213 N 8.65 0.07 0.56 -1.70 4.64 -1.89 -2.47 113.55 121.40 1lua h SER 213 Ca -0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1lua h SER 213 Cb 1.10 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1lua h SER 213 CO 0.86 0.04 -0.35 0.77 -0.87 0.00 0.00 176.83 177.28 1lua h SER 214 N 0.07 0.00 -2.79 4.97 4.64 -1.92 -3.44 113.55 115.09 1lua h SER 214 Ca 0.15 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.94 1lua h SER 214 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 1lua h SER 214 CO -0.01 0.35 0.92 -0.63 -0.87 0.00 0.00 176.83 176.59 1lua s ILE 215 N -3.94 3.34 -0.27 0.95 1.01 -0.93 -4.25 121.20 117.10 1lua s ILE 215 Ca -0.02 0.76 -0.14 0.00 0.00 0.00 0.00 60.65 61.25 1lua s ILE 215 Cb 0.13 -3.49 -0.13 0.00 0.01 0.00 0.00 42.46 38.98 1lua s ILE 215 CO 0.69 -0.00 -0.31 -0.62 0.00 0.00 0.00 174.94 174.70 1lua n GLU 216 N 5.49 0.59 -4.06 2.79 1.02 0.63 -4.80 120.64 122.30 1lua n GLU 216 Ca 0.15 0.28 -0.14 0.00 -0.02 0.00 0.00 57.16 57.43 1lua n GLU 216 Cb 0.42 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 30.19 1lua n GLU 216 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1lua s ILE 217 N -2.50 0.28 0.15 -3.67 1.01 -1.16 -1.97 121.20 113.34 1lua s ILE 217 Ca -0.38 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.12 1lua s ILE 217 Cb 0.14 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.31 1lua s ILE 217 CO 0.50 0.02 -0.21 0.68 0.00 0.00 0.00 174.94 175.94 1lua s VAL 218 N -0.22 1.94 -0.04 2.92 -7.23 -0.71 -2.68 120.40 114.37 1lua s VAL 218 Ca -0.00 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.29 1lua s VAL 218 Cb -0.02 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.09 1lua s VAL 218 CO -0.00 -0.18 0.13 0.00 -0.31 0.00 0.00 175.10 174.74 1lua s ALA 219 N -1.66 -0.32 -0.05 1.32 0.00 -0.22 -1.69 121.76 119.14 1lua s ALA 219 Ca 0.14 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1lua s ALA 219 Cb -0.08 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.88 1lua s ALA 219 CO 0.07 -0.08 -0.09 0.34 0.00 0.00 0.00 175.76 176.00 1lua s ASP 220 N -0.11 1.36 0.00 0.00 2.15 -0.62 -1.14 116.67 118.31 1lua s ASP 220 Ca -0.02 -0.22 0.23 0.00 0.43 0.00 0.00 52.55 52.97 1lua s ASP 220 Cb -0.02 -0.57 0.05 0.00 -0.30 0.00 0.00 42.92 42.08 1lua s ASP 220 CO 0.00 0.02 1.10 -1.22 -0.17 0.00 0.00 175.17 174.90 1lua n TYR 221 N 3.73 0.00 -3.02 -5.34 4.02 -0.78 -1.30 117.16 114.46 1lua n TYR 221 Ca -0.22 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.25 1lua n TYR 221 Cb 0.52 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 1lua n TYR 221 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1lua s ASN 222 N -2.85 6.63 0.00 7.72 2.47 -1.26 -4.78 114.94 122.87 1lua s ASN 222 Ca 0.12 0.70 0.24 0.00 0.42 0.00 0.00 52.86 54.34 1lua s ASN 222 Cb 0.17 -2.38 0.32 0.00 -1.45 0.00 0.00 41.25 37.92 1lua s ASN 222 CO 0.75 -0.49 1.29 0.00 -3.72 0.00 0.00 177.10 174.92 1lua n ALA 223 N 5.95 3.49 -2.79 1.71 0.00 -1.26 -4.25 120.51 123.36 1lua n ALA 223 Ca 0.02 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 1lua n ALA 223 Cb 0.48 -0.96 -0.12 0.00 0.00 0.00 0.00 19.45 18.86 1lua n ALA 223 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1lua s GLN 224 N -2.59 3.65 0.34 0.00 0.74 -1.26 -4.98 119.66 115.57 1lua s GLN 224 Ca 0.19 -0.51 -0.28 0.00 0.05 0.00 0.00 55.36 54.81 1lua s GLN 224 Cb 0.18 -3.55 -0.12 0.00 1.10 0.00 0.00 33.01 30.62 1lua s GLN 224 CO 0.59 -0.27 1.35 -2.30 -0.55 0.00 0.00 175.29 174.11 1lua n PRO 225 N 5.01 2.26 -2.23 1.67 -0.02 -1.26 -3.37 135.00 137.06 1lua n PRO 225 Ca -0.14 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1lua n PRO 225 Cb 0.51 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 1lua n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1lua s PRO 226 N -1.80 4.35 0.81 0.52 0.04 -1.26 -4.77 135.00 132.88 1lua s PRO 226 Ca 0.56 2.00 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1lua s PRO 226 Cb -0.55 -3.26 0.08 0.00 0.04 0.00 0.00 34.50 30.81 1lua s PRO 226 CO 0.61 -0.38 1.14 -0.51 0.04 0.00 0.00 177.00 177.91 1lua s LEU 227 N 0.98 3.06 0.37 -3.56 1.43 -1.25 -2.97 118.68 116.74 1lua s LEU 227 Ca 0.62 2.09 0.04 0.00 -1.03 0.00 0.00 54.13 55.86 1lua s LEU 227 Cb -0.35 -4.56 0.71 0.00 0.03 0.00 0.00 46.19 42.02 1lua s LEU 227 CO 0.31 -2.45 2.01 1.23 0.23 0.00 0.00 176.35 177.67 1lua h GLY 228 N -1.12 0.85 -5.97 -3.19 0.00 -1.73 -3.34 103.07 88.58 1lua h GLY 228 Ca -0.45 -0.30 -0.66 0.00 0.00 0.00 0.00 47.33 45.92 1lua h GLY 228 CO 0.47 0.28 -0.78 -0.42 0.00 0.00 0.00 176.54 176.09 1lua s ILE 229 N -5.67 2.85 0.48 2.60 1.01 -1.26 -0.77 121.20 120.44 1lua s ILE 229 Ca -0.10 -0.71 -0.18 0.00 0.00 0.00 0.00 60.65 59.67 1lua s ILE 229 Cb 0.18 -2.21 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 1lua s ILE 229 CO 0.76 0.51 0.96 -0.83 0.00 0.00 0.00 174.94 176.34 1lua s GLY 230 N 0.80 2.19 0.00 6.18 0.00 -0.34 -4.01 107.32 112.15 1lua s GLY 230 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1lua s GLY 230 CO 0.00 0.53 0.00 0.61 0.00 0.00 0.00 173.10 174.24 1lua n GLY 231 N -1.19 0.79 3.59 0.20 0.00 -1.26 -3.82 105.19 103.49 1lua n GLY 231 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 1lua n GLY 231 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1lua s ILE 232 N -2.95 1.57 -0.02 -0.61 -4.36 -1.26 -5.10 121.20 108.46 1lua s ILE 232 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1lua s ILE 232 Cb 0.00 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.89 1lua s ILE 232 CO 0.00 0.00 -0.10 -0.62 0.24 0.00 0.00 174.94 174.46 1lua s ASP 233 N -3.66 4.36 0.56 4.36 -1.08 -1.26 -5.01 116.67 114.94 1lua s ASP 233 Ca 0.31 -0.17 0.28 0.00 -0.52 0.00 0.00 52.55 52.45 1lua s ASP 233 Cb 0.08 -0.97 1.47 0.00 -1.46 0.00 0.00 42.92 42.04 1lua s ASP 233 CO 0.15 0.31 1.95 0.00 0.52 0.00 0.00 175.17 178.11 1lua h ALA 234 N 4.88 2.38 -0.00 3.66 0.00 -1.94 -0.51 119.26 127.73 1lua h ALA 234 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1lua h ALA 234 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1lua h ALA 234 CO 0.52 -0.72 -0.07 0.25 0.00 0.00 0.00 179.25 179.23 1lua n THR 235 N -4.06 0.00 -1.69 0.00 -2.24 -1.26 -1.01 114.28 104.01 1lua n THR 235 Ca 0.10 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1lua n THR 235 Cb 0.66 -0.34 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1lua n THR 235 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1lua n ASP 236 N -1.29 2.79 -3.16 3.42 8.00 -0.20 -4.18 116.55 121.94 1lua n ASP 236 Ca 0.11 1.19 -0.21 0.00 0.71 0.00 0.00 54.79 56.60 1lua n ASP 236 Cb 0.29 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.12 39.85 1lua n ASP 236 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1lua n LYS 237 N 0.91 0.52 -0.31 -1.24 4.81 -1.24 -0.47 118.16 121.14 1lua n LYS 237 Ca 0.06 -2.88 0.00 0.00 -0.87 0.00 0.00 58.31 54.62 1lua n LYS 237 Cb 0.35 -1.43 0.00 0.00 0.02 0.00 0.00 35.03 33.97 1lua n LYS 237 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lua n GLY 238 N 2.10 0.84 3.77 3.14 0.00 0.61 -5.00 105.19 110.66 1lua n GLY 238 Ca 0.22 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1lua n GLY 238 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1lua s LYS 239 N -0.68 4.13 -0.09 1.61 2.20 -1.08 -4.53 119.74 121.29 1lua s LYS 239 Ca 0.00 2.54 -0.16 0.00 -0.36 0.00 0.00 55.97 58.00 1lua s LYS 239 Cb 0.00 -2.98 -0.05 0.00 -1.51 0.00 0.00 37.83 33.29 1lua s LYS 239 CO 0.00 -0.52 0.40 -1.21 -0.36 0.00 0.00 175.35 173.66 1lua s GLU 240 N -1.84 4.17 -0.30 4.03 2.02 -1.26 -0.74 118.70 124.77 1lua s GLU 240 Ca 0.54 0.33 0.01 0.00 0.02 0.00 0.00 54.97 55.87 1lua s GLU 240 Cb -0.46 -3.36 0.09 0.00 0.10 0.00 0.00 34.13 30.50 1lua s GLU 240 CO 0.60 0.36 0.03 0.71 0.02 0.00 0.00 175.26 176.99 1lua s TYR 241 N 0.01 2.69 0.00 1.61 1.51 0.24 -4.96 117.35 118.45 1lua s TYR 241 Ca 0.22 -2.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.06 1lua s TYR 241 Cb -0.15 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.57 1lua s TYR 241 CO 0.09 -0.87 0.00 0.41 -1.11 0.00 0.00 175.55 174.07 1lua n GLY 242 N 4.57 3.72 1.04 0.71 0.00 -1.26 -0.65 105.19 113.32 1lua n GLY 242 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.96 1lua n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lua n GLY 243 N 0.00 2.02 3.33 -0.02 0.00 -1.26 -4.93 105.19 104.33 1lua n GLY 243 Ca 0.00 -0.37 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 1lua n GLY 243 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lua s LYS 244 N -1.70 1.29 -0.04 1.61 1.02 0.18 -4.90 119.74 117.19 1lua s LYS 244 Ca 0.22 -1.55 0.04 0.00 0.02 0.00 0.00 55.97 54.69 1lua s LYS 244 Cb 0.16 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.37 1lua s LYS 244 CO 0.07 0.18 -0.15 1.03 -0.92 0.00 0.00 175.35 175.56 1lua s ARG 245 N -3.57 2.46 0.03 1.68 3.00 -0.83 0.80 118.95 122.53 1lua s ARG 245 Ca 0.21 -0.72 0.07 0.00 0.00 0.00 0.00 55.73 55.29 1lua s ARG 245 Cb -0.01 -2.35 -0.02 0.00 0.00 0.00 0.00 34.95 32.57 1lua s ARG 245 CO 0.06 0.62 -0.20 0.00 0.00 0.00 0.00 175.30 175.78 1lua s ALA 246 N -0.74 1.70 -0.17 2.13 0.00 0.08 -1.74 121.76 123.02 1lua s ALA 246 Ca 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1lua s ALA 246 Cb -0.11 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.70 1lua s ALA 246 CO 0.01 0.38 -0.11 -0.06 0.00 0.00 0.00 175.76 175.98 1lua s PHE 247 N -0.75 2.12 0.57 0.00 0.40 -0.68 -0.28 117.98 119.35 1lua s PHE 247 Ca 0.07 -1.28 -0.01 0.00 -0.60 0.00 0.00 56.93 55.11 1lua s PHE 247 Cb -0.09 -1.53 0.03 0.00 0.51 0.00 0.00 43.02 41.94 1lua s PHE 247 CO 0.01 -0.67 0.81 0.20 0.70 0.00 0.00 175.22 176.27 1lua s GLY 248 N 1.50 1.73 0.29 4.36 0.00 0.38 -1.59 107.32 113.99 1lua s GLY 248 Ca 0.02 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.61 1lua s GLY 248 CO -0.09 -0.85 1.88 0.00 0.00 0.00 0.00 173.10 174.04 1lua h ALA 249 N -0.02 1.51 -0.03 3.20 0.00 -1.01 -2.06 119.26 120.86 1lua h ALA 249 Ca -0.44 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1lua h ALA 249 Cb 1.29 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1lua h ALA 249 CO 0.56 0.31 -0.84 -0.07 0.00 0.00 0.00 179.25 179.20 1lua h LEU 250 N 1.03 0.44 -1.19 0.00 3.38 -1.38 -0.83 115.31 116.76 1lua h LEU 250 Ca 0.44 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1lua h LEU 250 Cb 0.32 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1lua h LEU 250 CO -0.19 1.10 0.29 1.23 0.09 0.00 0.00 178.44 180.96 1lua h GLY 251 N 1.41 0.92 1.15 0.83 0.00 -0.96 -2.18 103.07 104.23 1lua h GLY 251 Ca -0.05 -0.43 -0.24 0.00 0.00 0.00 0.00 47.33 46.61 1lua h GLY 251 CO 0.14 0.41 -0.91 -2.22 0.00 0.00 0.00 176.54 173.96 1lua h ILE 252 N 0.86 1.29 -0.12 2.60 2.04 -1.33 -3.21 117.51 119.64 1lua h ILE 252 Ca 0.21 -2.13 0.03 0.00 1.00 0.00 0.00 64.86 63.98 1lua h ILE 252 Cb 0.09 2.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1lua h ILE 252 CO -0.03 0.66 0.09 1.23 0.00 0.00 0.00 178.15 180.10 1lua h GLY 253 N 0.39 0.00 1.14 5.37 0.00 -0.77 -1.55 103.07 107.66 1lua h GLY 253 Ca -0.10 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 1lua h GLY 253 CO 0.18 0.00 0.11 -1.33 0.00 0.00 0.00 176.54 175.50 1lua h GLY 254 N 0.00 1.13 1.12 4.60 0.00 -1.41 -1.60 103.07 106.91 1lua h GLY 254 Ca 0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 47.33 46.43 1lua h GLY 254 CO -0.00 0.68 -0.82 -2.00 0.00 0.00 0.00 176.54 174.40 1lua h LEU 255 N 0.99 0.87 -0.75 3.11 5.85 -1.52 -3.09 115.31 120.77 1lua h LEU 255 Ca 0.20 -0.67 0.13 0.00 0.84 0.00 0.00 57.88 58.38 1lua h LEU 255 Cb 0.42 -0.26 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 1lua h LEU 255 CO 0.01 1.42 0.31 0.50 -0.34 0.00 0.00 178.44 180.34 1lua h LYS 256 N 0.40 0.45 0.06 1.25 3.11 -1.04 0.14 116.57 120.94 1lua h LYS 256 Ca -0.08 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.73 1lua h LYS 256 Cb 1.46 -0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1lua h LYS 256 CO 0.17 0.30 -0.03 1.25 -2.81 0.00 0.00 179.45 178.33 1lua h LEU 257 N 0.47 -0.07 -1.11 5.20 5.85 -1.34 -0.48 115.31 123.83 1lua h LEU 257 Ca 0.41 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1lua h LEU 257 Cb 0.59 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1lua h LEU 257 CO -0.38 0.06 0.24 0.11 -0.34 0.00 0.00 178.44 178.13 1lua h LYS 258 N -0.20 0.87 -0.21 1.25 1.57 -1.32 -2.50 116.57 116.02 1lua h LYS 258 Ca -0.01 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 1lua h LYS 258 Cb 0.18 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1lua h LYS 258 CO 0.01 0.71 0.04 1.25 -0.57 0.00 0.00 179.45 180.90 1lua h LEU 259 N 0.86 0.33 -0.50 2.94 5.85 -0.61 -1.60 115.31 122.57 1lua h LEU 259 Ca 0.20 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1lua h LEU 259 Cb 0.17 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1lua h LEU 259 CO -0.02 0.50 0.25 -0.74 -0.34 0.00 0.00 178.44 178.09 1lua h HIS 260 N 0.16 0.46 -0.45 1.25 2.76 -0.92 -0.57 115.15 117.84 1lua h HIS 260 Ca 0.07 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1lua h HIS 260 Cb 0.30 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1lua h HIS 260 CO 0.02 0.22 0.29 0.00 -1.30 0.00 0.00 177.93 177.16 1lua h ARG 261 N 0.49 0.57 -0.10 5.26 3.08 -1.37 -2.68 114.38 119.64 1lua h ARG 261 Ca 0.22 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1lua h ARG 261 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1lua h ARG 261 CO -0.16 0.38 -0.29 0.00 -1.07 0.00 0.00 179.97 178.83 1lua h ALA 262 N 1.17 1.33 -0.55 0.04 0.00 -0.63 -2.87 119.26 117.75 1lua h ALA 262 Ca 0.17 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1lua h ALA 262 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1lua h ALA 262 CO -0.05 0.47 0.05 0.00 0.00 0.00 0.00 179.25 179.72 1lua h ILE 264 N 0.82 1.20 -0.96 0.00 1.08 -1.27 -2.20 117.51 116.18 1lua h ILE 264 Ca 0.16 -0.37 0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1lua h ILE 264 Cb 0.46 0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 34.21 1lua h ILE 264 CO 0.02 0.20 0.63 0.00 -0.69 0.00 0.00 178.15 178.31 1lua h ALA 265 N 1.29 1.27 -0.22 1.87 0.00 -1.34 -2.12 119.26 120.00 1lua h ALA 265 Ca 0.29 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1lua h ALA 265 Cb -0.12 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.31 1lua h ALA 265 CO -0.06 0.53 0.02 0.87 0.00 0.00 0.00 179.25 180.61 1lua h LYS 266 N 1.23 0.32 -0.11 0.00 1.79 -1.04 -2.96 116.57 115.80 1lua h LYS 266 Ca 0.38 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1lua h LYS 266 Cb -0.03 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1lua h LYS 266 CO -0.11 0.33 0.09 -0.07 -1.08 0.00 0.00 179.45 178.61 1lua h LEU 267 N 0.32 0.00 -1.47 2.94 3.38 -1.09 -1.22 115.31 118.16 1lua h LEU 267 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lua h LEU 267 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1lua h LEU 267 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1lua n PHE 268 N -4.21 0.21 1.00 1.13 3.01 -1.12 -4.10 117.46 113.38 1lua n PHE 268 Ca -0.00 -0.10 0.12 0.00 1.01 0.00 0.00 57.45 58.48 1lua n PHE 268 Cb 0.21 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.00 1lua n PHE 268 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1lua n GLU 269 N 0.71 0.01 -3.81 -1.08 1.02 -0.46 -4.63 120.64 112.39 1lua n GLU 269 Ca 0.17 -0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.25 1lua n GLU 269 Cb 0.44 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.34 1lua n GLU 269 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1lua s SER 270 N -3.00 -0.22 -0.17 1.62 1.04 -1.26 -5.05 113.70 106.67 1lua s SER 270 Ca 0.12 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.19 1lua s SER 270 Cb 0.18 0.62 0.53 0.00 0.10 0.00 0.00 66.02 67.45 1lua s SER 270 CO 0.67 -1.14 1.43 -1.54 0.98 0.00 0.00 173.24 173.64 1lua n SER 271 N -0.47 3.93 -0.00 7.02 3.41 -1.26 -4.30 113.62 121.94 1lua n SER 271 Ca -0.05 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.64 1lua n SER 271 Cb 0.60 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1lua n SER 271 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1lua n GLU 272 N -0.33 1.55 -2.33 4.33 1.02 -1.26 -3.09 120.64 120.53 1lua n GLU 272 Ca 0.21 -1.03 -0.40 0.00 -0.02 0.00 0.00 57.16 55.92 1lua n GLU 272 Cb 0.87 -0.76 -0.03 0.00 -0.02 0.00 0.00 31.44 31.50 1lua n GLU 272 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1lua s GLY 273 N -0.53 3.03 -0.33 0.62 0.00 -1.26 -4.89 107.32 103.95 1lua s GLY 273 Ca 0.00 1.04 0.01 0.00 0.00 0.00 0.00 44.72 45.77 1lua s GLY 273 CO 0.00 1.65 0.10 0.14 0.00 0.00 0.00 173.10 174.99 1lua s VAL 274 N -1.17 1.35 -0.99 1.40 1.01 -1.26 -1.07 120.40 119.67 1lua s VAL 274 Ca 0.47 -1.79 -0.14 0.00 0.00 0.00 0.00 61.98 60.51 1lua s VAL 274 Cb -0.35 -2.01 0.20 0.00 0.00 0.00 0.00 36.38 34.22 1lua s VAL 274 CO 0.45 -0.67 1.07 -0.36 0.00 0.00 0.00 175.10 175.59 1lua s PHE 275 N 1.28 3.65 0.00 5.22 0.40 0.42 -4.68 117.98 124.28 1lua s PHE 275 Ca 0.11 -2.01 0.00 0.00 -0.60 0.00 0.00 56.93 54.42 1lua s PHE 275 Cb -0.18 -4.04 0.00 0.00 0.51 0.00 0.00 43.02 39.30 1lua s PHE 275 CO -0.18 -1.19 0.00 -3.47 0.70 0.00 0.00 175.22 171.08 1lua n ASP 276 N 4.70 1.10 -0.25 1.36 -0.08 -1.26 -1.73 116.55 120.39 1lua n ASP 276 Ca 0.23 -0.81 0.06 0.00 -1.51 0.00 0.00 54.79 52.76 1lua n ASP 276 Cb 0.45 0.00 0.18 0.00 2.34 0.00 0.00 41.12 44.09 1lua n ASP 276 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1lua h ALA 277 N 0.65 0.90 -0.24 -1.67 0.00 -1.93 -2.23 119.26 114.74 1lua h ALA 277 Ca 0.00 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1lua h ALA 277 Cb 0.00 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lua h ALA 277 CO 0.00 -0.39 0.13 0.93 0.00 0.00 0.00 179.25 179.91 1lua h GLU 278 N 0.18 0.34 -0.04 0.00 3.07 -1.95 -1.15 114.58 115.03 1lua h GLU 278 Ca 0.42 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 59.10 1lua h GLU 278 Cb 0.76 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.58 1lua h GLU 278 CO -0.59 0.32 -0.63 1.49 -1.40 0.00 0.00 179.01 178.21 1lua h GLU 279 N 0.28 0.14 -0.28 2.33 4.57 -1.79 -1.43 114.58 118.39 1lua h GLU 279 Ca 0.09 -0.10 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 1lua h GLU 279 Cb 0.08 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1lua h GLU 279 CO -0.01 0.72 -0.48 0.82 -1.18 0.00 0.00 179.01 178.88 1lua h ILE 280 N 0.10 1.29 -0.41 2.32 2.04 -1.27 -2.77 117.51 118.80 1lua h ILE 280 Ca -0.01 -1.67 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 1lua h ILE 280 Cb 1.12 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1lua h ILE 280 CO 0.09 0.54 -0.24 0.22 0.00 0.00 0.00 178.15 178.75 1lua h TYR 281 N 0.59 0.97 -0.82 1.37 3.20 -1.03 -0.31 116.97 120.94 1lua h TYR 281 Ca 0.03 -0.24 0.07 0.00 3.14 0.00 0.00 58.73 61.74 1lua h TYR 281 Cb 1.04 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 1lua h TYR 281 CO 0.06 1.00 0.49 -0.22 -1.64 0.00 0.00 178.16 177.85 1lua h LYS 282 N 0.73 0.85 -0.18 1.82 3.64 -1.12 -1.36 116.57 120.95 1lua h LYS 282 Ca 0.09 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.24 1lua h LYS 282 Cb 0.78 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1lua h LYS 282 CO 0.06 0.56 -0.64 1.25 -2.27 0.00 0.00 179.45 178.41 1lua h LEU 283 N 0.87 0.73 -0.95 5.20 5.85 -1.20 -3.05 115.31 122.77 1lua h LEU 283 Ca 0.37 -0.43 0.07 0.00 0.84 0.00 0.00 57.88 58.73 1lua h LEU 283 Cb 0.23 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1lua h LEU 283 CO -0.20 1.19 0.60 0.00 -0.34 0.00 0.00 178.44 179.69 1lua h ALA 284 N 0.82 1.32 -0.44 1.25 0.00 -0.37 -1.80 119.26 120.04 1lua h ALA 284 Ca -0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1lua h ALA 284 Cb 1.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1lua h ALA 284 CO 0.12 0.35 0.10 0.87 0.00 0.00 0.00 179.25 180.70 1lua h LYS 285 N 1.07 0.66 0.00 0.00 1.57 -1.17 0.36 116.57 119.06 1lua h LYS 285 Ca 0.42 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 59.00 1lua h LYS 285 Cb 0.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1lua h LYS 285 CO -0.18 0.61 -0.38 0.93 -0.57 0.00 0.00 179.45 179.85 1lua h GLU 286 N 0.64 0.00 0.00 3.15 5.08 -1.29 -3.30 114.58 118.86 1lua h GLU 286 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1lua h GLU 286 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1lua h GLU 286 CO -0.00 0.38 -1.71 -1.33 -1.00 0.00 0.00 179.01 175.35 1lua n MET 287 N -3.81 0.54 0.00 2.33 2.81 -0.88 -5.13 117.12 112.98 1lua n MET 287 Ca -0.01 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.73 1lua n MET 287 Cb 0.45 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1lua n MET 287 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48