#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f05 s GLU 12 N 0.00 1.67 0.84 0.03 -1.05 -1.26 -5.15 118.70 113.79 1f05 s GLU 12 Ca 0.00 -1.94 -0.11 0.00 -0.15 0.00 0.00 54.97 52.77 1f05 s GLU 12 Cb 0.00 -0.75 0.10 0.00 -0.44 0.00 0.00 34.13 33.04 1f05 s GLU 12 CO 0.00 -0.25 1.09 -1.54 0.95 0.00 0.00 175.26 175.51 1f05 s SER 13 N -3.49 3.87 0.30 0.83 1.04 -1.26 -4.63 113.70 110.36 1f05 s SER 13 Ca 0.34 1.71 -0.00 0.00 0.48 0.00 0.00 55.95 58.47 1f05 s SER 13 Cb 0.08 -2.37 0.46 0.00 0.10 0.00 0.00 66.02 64.28 1f05 s SER 13 CO 0.15 -2.42 1.89 0.00 0.98 0.00 0.00 173.24 173.83 1f05 h ALA 14 N -1.40 1.32 0.22 5.32 0.00 -0.34 -1.24 119.26 123.14 1f05 h ALA 14 Ca -0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1f05 h ALA 14 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1f05 h ALA 14 CO 0.52 0.51 -0.10 1.25 0.00 0.00 0.00 179.25 181.43 1f05 h LEU 15 N 0.85 -0.25 -1.59 0.00 5.85 -1.22 0.68 115.31 119.63 1f05 h LEU 15 Ca 0.20 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1f05 h LEU 15 Cb 0.15 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1f05 h LEU 15 CO -0.02 -0.04 -0.21 0.44 -0.34 0.00 0.00 178.44 178.27 1f05 h ASP 16 N -0.45 0.00 -0.17 1.25 3.32 -1.81 -1.45 116.42 117.11 1f05 h ASP 16 Ca -0.03 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1f05 h ASP 16 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1f05 h ASP 16 CO 0.05 0.21 -0.32 1.56 -1.72 0.00 0.00 179.24 179.02 1f05 h GLN 17 N 0.00 0.52 -0.49 3.56 4.20 -0.99 -2.94 115.11 118.97 1f05 h GLN 17 Ca -0.00 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.41 1f05 h GLN 17 Cb 0.39 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1f05 h GLN 17 CO 0.03 0.94 0.33 1.25 -0.67 0.00 0.00 178.83 180.70 1f05 h LEU 18 N 0.17 0.48 0.00 1.46 5.85 -0.25 -0.74 115.31 122.28 1f05 h LEU 18 Ca 0.01 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1f05 h LEU 18 Cb 0.91 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1f05 h LEU 18 CO 0.07 0.33 0.00 0.29 -0.34 0.00 0.00 178.44 178.80 1f05 n LYS 19 N -4.47 0.03 0.05 1.25 5.02 -0.60 -0.03 118.16 119.40 1f05 n LYS 19 Ca 0.05 0.33 -0.11 0.00 -2.02 0.00 0.00 58.31 56.57 1f05 n LYS 19 Cb 0.14 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 1f05 n LYS 19 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1f05 h GLN 20 N 0.00 0.09 0.00 1.97 4.20 -1.18 -3.38 115.11 116.82 1f05 h GLN 20 Ca 0.00 -0.16 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1f05 h GLN 20 Cb 0.11 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1f05 h GLN 20 CO 0.00 0.94 -1.80 1.19 -0.67 0.00 0.00 178.83 178.49 1f05 n PHE 21 N -3.32 0.00 -3.97 2.96 0.99 -0.68 -5.02 117.46 108.42 1f05 n PHE 21 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.27 1f05 n PHE 21 Cb 1.00 -0.47 -0.11 0.00 -1.00 0.00 0.00 39.48 38.90 1f05 n PHE 21 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 1f05 s THR 22 N -2.85 0.10 -0.30 4.37 2.01 0.96 -3.89 115.64 116.04 1f05 s THR 22 Ca -0.06 -0.85 -0.24 0.00 0.31 0.00 0.00 61.69 60.85 1f05 s THR 22 Cb 0.08 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.33 1f05 s THR 22 CO 0.63 -0.46 0.83 -0.89 -0.69 0.00 0.00 174.62 174.04 1f05 s THR 23 N -1.38 4.76 0.09 -0.82 2.01 -0.42 -3.89 115.64 115.98 1f05 s THR 23 Ca -0.15 1.30 -0.26 0.00 0.31 0.00 0.00 61.69 62.89 1f05 s THR 23 Cb -0.09 -4.18 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1f05 s THR 23 CO -0.01 -0.26 0.79 -0.69 -0.69 0.00 0.00 174.62 173.76 1f05 s VAL 24 N 3.04 4.60 0.00 3.82 1.01 -1.26 -2.08 120.40 129.53 1f05 s VAL 24 Ca 0.34 1.70 0.06 0.00 0.00 0.00 0.00 61.98 64.08 1f05 s VAL 24 Cb -0.14 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1f05 s VAL 24 CO 0.12 0.40 -0.18 -0.69 0.00 0.00 0.00 175.10 174.76 1f05 s VAL 25 N -0.36 1.42 -0.18 2.92 1.01 -0.41 -1.25 120.40 123.55 1f05 s VAL 25 Ca 0.39 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1f05 s VAL 25 Cb -0.22 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1f05 s VAL 25 CO 0.25 0.33 0.40 0.00 0.00 0.00 0.00 175.10 176.08 1f05 s ALA 26 N -0.51 3.55 -0.73 5.51 0.00 -0.89 -0.12 121.76 128.56 1f05 s ALA 26 Ca 0.07 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 1f05 s ALA 26 Cb -0.07 -2.61 0.16 0.00 0.00 0.00 0.00 23.12 20.60 1f05 s ALA 26 CO -0.00 -0.21 0.75 0.34 0.00 0.00 0.00 175.76 176.64 1f05 s ASP 27 N 0.91 6.51 -0.18 0.00 2.15 0.27 -0.64 116.67 125.69 1f05 s ASP 27 Ca 0.20 -2.16 -0.35 0.00 0.43 0.00 0.00 52.55 50.67 1f05 s ASP 27 Cb -0.15 -2.25 0.14 0.00 -0.30 0.00 0.00 42.92 40.36 1f05 s ASP 27 CO 0.08 -0.81 1.29 0.28 -0.17 0.00 0.00 175.17 175.84 1f05 s THR 28 N 1.32 0.00 -0.36 1.71 -1.32 -0.40 -4.34 115.64 112.25 1f05 s THR 28 Ca 0.15 -0.04 0.14 0.00 -1.21 0.00 0.00 61.69 60.73 1f05 s THR 28 Cb -0.16 -1.24 -0.18 0.00 -1.51 0.00 0.00 72.50 69.40 1f05 s THR 28 CO -0.03 0.00 0.46 0.61 -2.21 0.00 0.00 174.62 173.44 1f05 n GLY 29 N -0.17 -0.45 3.20 6.08 0.00 -1.26 -4.53 105.19 108.07 1f05 n GLY 29 Ca -0.00 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.23 1f05 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1f05 n ASP 30 N -1.63 4.50 0.00 1.61 2.03 -1.26 -4.81 116.55 116.99 1f05 n ASP 30 Ca 0.00 -2.89 0.03 0.00 0.52 0.00 0.00 54.79 52.46 1f05 n ASP 30 Cb 0.28 -1.70 0.18 0.00 -0.72 0.00 0.00 41.12 39.16 1f05 n ASP 30 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1f05 n PHE 31 N 7.28 0.00 0.09 -0.67 1.16 -1.26 -2.32 117.46 121.75 1f05 n PHE 31 Ca 0.50 0.00 -0.05 0.00 -1.87 0.00 0.00 57.45 56.02 1f05 n PHE 31 Cb 0.43 -0.31 0.02 0.00 -1.61 0.00 0.00 39.48 38.00 1f05 n PHE 31 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1f05 h HIS 32 N 0.00 0.09 -0.02 2.97 3.86 -1.99 -3.08 115.15 116.98 1f05 h HIS 32 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1f05 h HIS 32 Cb 0.07 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1f05 h HIS 32 CO 0.00 0.86 0.00 0.00 0.86 0.00 0.00 177.93 179.65 1f05 n ALA 33 N -2.41 2.60 -0.56 2.45 0.00 -0.98 -4.54 120.51 117.07 1f05 n ALA 33 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1f05 n ALA 33 Cb 0.78 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1f05 n ALA 33 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f05 n ILE 34 N -0.12 0.00 0.22 0.00 5.41 -1.17 -3.91 119.36 119.79 1f05 n ILE 34 Ca 0.20 0.88 0.07 0.00 1.00 0.00 0.00 62.75 64.90 1f05 n ILE 34 Cb 0.29 -1.69 0.14 0.00 -0.71 0.00 0.00 39.64 37.67 1f05 n ILE 34 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1f05 h ASP 35 N 0.00 0.00 0.09 4.38 2.03 -1.80 0.26 116.42 121.38 1f05 h ASP 35 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 1f05 h ASP 35 Cb 0.00 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1f05 h ASP 35 CO 0.00 0.00 -0.04 -0.08 -1.03 0.00 0.00 179.24 178.09 1f05 h GLU 36 N 0.00 0.00 -0.02 4.15 4.81 -1.86 -2.50 114.58 119.17 1f05 h GLU 36 Ca 0.10 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1f05 h GLU 36 Cb 2.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.47 1f05 h GLU 36 CO -0.00 0.04 -0.09 0.66 -0.73 0.00 0.00 179.01 178.89 1f05 n TYR 37 N -3.98 0.00 -3.90 0.92 4.01 0.90 -5.03 117.16 110.07 1f05 n TYR 37 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.31 1f05 n TYR 37 Cb 0.13 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 1f05 n TYR 37 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1f05 n LYS 38 N 0.63 -0.66 -1.79 -0.72 4.76 -0.94 -4.95 118.16 114.48 1f05 n LYS 38 Ca 0.09 0.25 -0.30 0.00 -2.87 0.00 0.00 58.31 55.48 1f05 n LYS 38 Cb 0.38 -3.18 0.07 0.00 -1.84 0.00 0.00 35.03 30.47 1f05 n LYS 38 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1f05 s PRO 39 N -6.77 2.35 -0.16 1.97 0.02 -1.26 -5.01 135.00 126.14 1f05 s PRO 39 Ca 0.48 0.41 -0.19 0.00 0.02 0.00 0.00 61.00 61.71 1f05 s PRO 39 Cb -0.22 -1.97 -0.16 0.00 0.02 0.00 0.00 34.50 32.16 1f05 s PRO 39 CO 0.93 -1.38 0.31 0.37 -0.33 0.00 0.00 177.00 176.89 1f05 h GLN 40 N -0.91 0.00 -5.28 5.54 5.75 -1.54 -3.40 115.11 115.27 1f05 h GLN 40 Ca -0.46 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.37 1f05 h GLN 40 Cb 1.28 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.70 1f05 h GLN 40 CO 0.63 0.72 -0.53 -0.51 -2.65 0.00 0.00 178.83 176.49 1f05 s ASP 41 N -6.31 4.08 0.04 -0.69 1.11 -1.25 -0.20 116.67 113.45 1f05 s ASP 41 Ca -0.20 -1.61 -0.01 0.00 0.18 0.00 0.00 52.55 50.92 1f05 s ASP 41 Cb 0.02 0.36 -0.03 0.00 1.07 0.00 0.00 42.92 44.34 1f05 s ASP 41 CO 0.49 -0.78 -0.02 0.00 1.18 0.00 0.00 175.17 176.04 1f05 s ALA 42 N -2.85 0.28 0.06 5.23 0.00 -0.02 -2.09 121.76 122.36 1f05 s ALA 42 Ca 0.11 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.24 1f05 s ALA 42 Cb 0.03 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1f05 s ALA 42 CO 0.06 -0.27 -0.12 0.95 0.00 0.00 0.00 175.76 176.38 1f05 s THR 43 N -2.71 0.89 0.11 0.00 -4.23 0.19 -1.95 115.64 107.95 1f05 s THR 43 Ca -0.04 -1.18 -0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1f05 s THR 43 Cb -0.01 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1f05 s THR 43 CO -0.06 -0.25 0.10 0.42 -0.54 0.00 0.00 174.62 174.29 1f05 s THR 44 N -1.25 0.13 0.15 3.99 -4.23 -1.07 -1.27 115.64 112.08 1f05 s THR 44 Ca -0.04 -1.70 -0.14 0.00 -1.18 0.00 0.00 61.69 58.62 1f05 s THR 44 Cb -0.10 -1.80 0.02 0.00 1.34 0.00 0.00 72.50 71.96 1f05 s THR 44 CO 0.01 -0.58 0.39 0.54 -0.54 0.00 0.00 174.62 174.45 1f05 s ASN 45 N -2.98 -0.15 0.61 3.99 2.20 -1.26 -4.42 114.94 112.93 1f05 s ASN 45 Ca 0.17 -0.51 0.25 0.00 -0.94 0.00 0.00 52.86 51.83 1f05 s ASN 45 Cb 0.06 0.48 1.12 0.00 -2.00 0.00 0.00 41.25 40.92 1f05 s ASN 45 CO -0.03 -0.91 1.57 -0.65 -2.94 0.00 0.00 177.10 174.15 1f05 h PRO 46 N 2.39 0.00 0.00 3.55 0.11 -1.91 -0.28 132.00 135.86 1f05 h PRO 46 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1f05 h PRO 46 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1f05 h PRO 46 CO 0.45 0.00 -0.04 1.03 -0.21 0.00 0.00 178.00 179.23 1f05 h SER 47 N 0.00 0.00 -0.75 -2.05 0.87 -1.92 -3.12 113.55 106.57 1f05 h SER 47 Ca 0.27 -0.78 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1f05 h SER 47 Cb 1.89 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.82 1f05 h SER 47 CO -0.00 0.91 0.37 -0.07 -0.53 0.00 0.00 176.83 177.51 1f05 h LEU 48 N -1.00 0.97 -0.55 2.23 3.38 -1.50 -1.96 115.31 116.88 1f05 h LEU 48 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1f05 h LEU 48 Cb 0.80 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1f05 h LEU 48 CO -0.01 0.82 0.35 0.40 0.09 0.00 0.00 178.44 180.10 1f05 h ILE 49 N 1.05 1.15 0.02 1.22 1.08 -1.37 0.31 117.51 120.97 1f05 h ILE 49 Ca 0.26 -0.32 0.03 0.00 -0.39 0.00 0.00 64.86 64.44 1f05 h ILE 49 Cb 0.10 0.37 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 1f05 h ILE 49 CO -0.03 0.15 -0.34 0.25 -0.69 0.00 0.00 178.15 177.49 1f05 h LEU 50 N 0.75 -1.01 -0.07 1.44 5.85 -1.39 0.24 115.31 121.12 1f05 h LEU 50 Ca 0.20 0.13 0.04 0.00 0.84 0.00 0.00 57.88 59.09 1f05 h LEU 50 Cb -0.05 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1f05 h LEU 50 CO -0.04 -0.40 -0.29 0.00 -0.34 0.00 0.00 178.44 177.37 1f05 h ALA 51 N 0.19 -0.35 -0.26 1.25 0.00 -0.87 -2.86 119.26 116.36 1f05 h ALA 51 Ca 0.06 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1f05 h ALA 51 Cb 0.58 0.53 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 1f05 h ALA 51 CO -0.27 -0.77 -0.31 0.00 0.00 0.00 0.00 179.25 177.90 1f05 h ALA 52 N 0.45 -0.26 -0.06 0.00 0.00 0.45 -2.21 119.26 117.63 1f05 h ALA 52 Ca 0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1f05 h ALA 52 Cb 0.51 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1f05 h ALA 52 CO -0.29 -0.75 0.05 0.00 0.00 0.00 0.00 179.25 178.26 1f05 h ALA 53 N 0.61 1.92 -0.00 0.00 0.00 -0.41 -1.21 119.26 120.17 1f05 h ALA 53 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1f05 h ALA 53 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1f05 h ALA 53 CO -0.44 -0.08 -0.00 1.04 0.00 0.00 0.00 179.25 179.77 1f05 n GLN 54 N -4.31 0.87 -3.00 0.00 6.02 -0.83 -4.64 117.38 111.49 1f05 n GLN 54 Ca -0.01 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 1f05 n GLN 54 Cb 0.15 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.87 1f05 n GLN 54 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1f05 s MET 55 N -2.14 4.46 0.25 -1.09 -1.94 -0.46 -4.96 119.30 113.42 1f05 s MET 55 Ca 0.43 0.98 -0.06 0.00 -1.71 0.00 0.00 55.69 55.33 1f05 s MET 55 Cb 0.22 -3.43 0.47 0.00 2.01 0.00 0.00 34.83 34.10 1f05 s MET 55 CO 0.39 0.11 1.64 -1.35 -0.01 0.00 0.00 175.02 175.80 1f05 h PRO 56 N 6.50 0.13 -0.64 2.03 0.11 -1.88 -0.90 132.00 137.35 1f05 h PRO 56 Ca -0.42 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.87 1f05 h PRO 56 Cb 1.20 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1f05 h PRO 56 CO 0.74 0.09 0.48 0.00 -0.21 0.00 0.00 178.00 179.10 1f05 h ALA 57 N 1.70 2.56 -0.40 -0.75 0.00 -1.93 -2.02 119.26 118.42 1f05 h ALA 57 Ca 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1f05 h ALA 57 Cb 0.76 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1f05 h ALA 57 CO -0.64 -0.81 0.00 0.66 0.00 0.00 0.00 179.25 178.46 1f05 n TYR 58 N -4.23 0.98 0.31 0.00 4.02 -0.35 -4.53 117.16 113.36 1f05 n TYR 58 Ca 0.12 -0.69 0.20 0.00 -0.01 0.00 0.00 57.90 57.53 1f05 n TYR 58 Cb 0.73 -0.22 0.99 0.00 -0.02 0.00 0.00 39.34 40.83 1f05 n TYR 58 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1f05 h GLN 59 N 2.54 0.00 -0.47 -0.72 1.08 -1.30 -1.92 115.11 114.32 1f05 h GLN 59 Ca 0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1f05 h GLN 59 Cb 1.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.66 1f05 h GLN 59 CO 0.17 0.00 -0.09 1.49 -0.95 0.00 0.00 178.83 179.45 1f05 h GLU 60 N 0.00 0.89 -0.31 1.46 4.81 -1.81 -2.35 114.58 117.26 1f05 h GLU 60 Ca 0.00 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 1f05 h GLU 60 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1f05 h GLU 60 CO 0.00 0.97 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.97 1f05 h LEU 61 N 0.73 0.59 -0.54 1.64 3.38 -1.69 -2.79 115.31 116.64 1f05 h LEU 61 Ca 0.12 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1f05 h LEU 61 Cb 0.63 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1f05 h LEU 61 CO 0.04 0.81 0.14 0.58 0.09 0.00 0.00 178.44 180.10 1f05 h VAL 62 N 0.53 1.24 -0.28 1.22 2.07 -1.40 -1.10 116.25 118.54 1f05 h VAL 62 Ca 0.08 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 1f05 h VAL 62 Cb 0.66 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1f05 h VAL 62 CO 0.05 0.31 -0.07 -0.33 0.02 0.00 0.00 177.57 177.54 1f05 h GLU 63 N 0.75 0.44 -0.26 1.57 4.39 -1.31 0.12 114.58 120.29 1f05 h GLU 63 Ca 0.17 -0.11 -0.19 0.00 0.34 0.00 0.00 59.36 59.57 1f05 h GLU 63 Cb 0.32 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1f05 h GLU 63 CO -0.00 0.53 -0.58 0.93 -1.16 0.00 0.00 179.01 178.73 1f05 h GLU 64 N 0.42 0.84 -0.45 2.33 5.08 -1.21 -1.88 114.58 119.70 1f05 h GLU 64 Ca 0.09 -0.55 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1f05 h GLU 64 Cb 0.40 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1f05 h GLU 64 CO 0.02 1.18 0.16 0.00 -1.00 0.00 0.00 179.01 179.37 1f05 h ALA 65 N 0.70 0.59 -0.06 3.43 0.00 -0.74 -1.73 119.26 121.45 1f05 h ALA 65 Ca 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.76 1f05 h ALA 65 Cb 1.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1f05 h ALA 65 CO 0.13 0.22 0.01 0.82 0.00 0.00 0.00 179.25 180.42 1f05 h ILE 66 N 0.59 0.97 -0.88 0.00 2.04 -0.92 -1.49 117.51 117.82 1f05 h ILE 66 Ca 0.15 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 66.08 1f05 h ILE 66 Cb 0.23 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1f05 h ILE 66 CO -0.01 0.01 0.57 0.00 0.00 0.00 0.00 178.15 178.72 1f05 h ALA 67 N 1.05 1.61 0.12 1.87 0.00 -1.19 -2.12 119.26 120.60 1f05 h ALA 67 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1f05 h ALA 67 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1f05 h ALA 67 CO -0.04 0.22 -0.06 -0.92 0.00 0.00 0.00 179.25 178.46 1f05 h TYR 68 N 0.91 -0.14 -0.73 0.00 3.20 -0.57 -3.20 116.97 116.43 1f05 h TYR 68 Ca 0.40 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.27 1f05 h TYR 68 Cb 0.34 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.62 1f05 h TYR 68 CO -0.00 0.05 0.48 0.78 -1.64 0.00 0.00 178.16 177.82 1f05 h GLY 69 N -0.31 1.03 0.96 1.82 0.00 -0.67 -2.70 103.07 103.20 1f05 h GLY 69 Ca -0.02 -0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.01 1f05 h GLY 69 CO 0.03 0.36 0.50 3.21 0.00 0.00 0.00 176.54 180.64 1f05 h ARG 70 N 0.98 0.74 -0.79 4.80 3.08 -1.46 -2.42 114.38 119.30 1f05 h ARG 70 Ca 0.27 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 1f05 h ARG 70 Cb -0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 1f05 h ARG 70 CO -0.06 0.49 0.32 -0.22 -1.07 0.00 0.00 179.97 179.42 1f05 h LYS 71 N 0.76 1.18 0.00 0.04 3.64 -1.47 -2.56 116.57 118.16 1f05 h LYS 71 Ca 0.33 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1f05 h LYS 71 Cb 0.32 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1f05 h LYS 71 CO -0.12 0.96 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.73 1f05 h LEU 72 N 1.15 0.00 0.00 5.20 3.38 -1.41 -3.49 115.31 120.14 1f05 h LEU 72 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f05 h LEU 72 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1f05 h LEU 72 CO -0.02 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.33 1f05 n GLY 73 N 0.25 -1.14 0.18 0.83 0.00 -0.97 -5.04 105.19 99.29 1f05 n GLY 73 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1f05 n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1f05 n GLY 74 N 0.00 -1.81 3.69 -0.02 0.00 -1.26 -3.79 105.19 102.00 1f05 n GLY 74 Ca 0.00 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.72 1f05 n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1f05 s SER 75 N -4.00 2.36 0.22 1.61 1.04 -1.26 -4.67 113.70 109.01 1f05 s SER 75 Ca 0.00 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.28 1f05 s SER 75 Cb 0.00 -1.45 0.21 0.00 0.10 0.00 0.00 66.02 64.88 1f05 s SER 75 CO 0.00 -3.26 1.87 1.56 0.98 0.00 0.00 173.24 174.39 1f05 h GLN 76 N -1.99 0.99 -0.40 4.02 4.20 -1.99 -0.47 115.11 119.47 1f05 h GLN 76 Ca -0.51 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.08 1f05 h GLN 76 Cb 1.32 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1f05 h GLN 76 CO 0.52 0.65 0.00 1.49 -0.67 0.00 0.00 178.83 180.83 1f05 h GLU 77 N 1.02 0.63 0.20 1.46 4.81 -1.99 -2.07 114.58 118.64 1f05 h GLU 77 Ca 0.31 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1f05 h GLU 77 Cb -0.04 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1f05 h GLU 77 CO -0.09 0.65 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.30 1f05 h ASP 78 N 0.60 -0.22 -0.15 1.04 5.19 -1.59 -1.99 116.42 119.29 1f05 h ASP 78 Ca 0.12 -0.20 -0.01 0.00 -0.62 0.00 0.00 57.03 56.33 1f05 h ASP 78 Cb 0.37 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1f05 h ASP 78 CO 0.01 0.08 0.07 1.56 -3.12 0.00 0.00 179.24 177.84 1f05 h GLN 79 N -0.54 0.27 -0.04 3.56 4.20 -1.09 -0.03 115.11 121.43 1f05 h GLN 79 Ca -0.03 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 1f05 h GLN 79 Cb 0.41 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1f05 h GLN 79 CO 0.04 0.24 -0.47 0.82 -0.67 0.00 0.00 178.83 178.79 1f05 h ILE 80 N 0.28 1.34 0.15 2.54 1.08 -1.29 -1.90 117.51 119.71 1f05 h ILE 80 Ca 0.07 -1.65 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 1f05 h ILE 80 Cb 0.08 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1f05 h ILE 80 CO -0.01 0.48 -0.07 0.50 -0.69 0.00 0.00 178.15 178.36 1f05 h LYS 81 N 0.08 -0.20 -0.19 2.37 3.64 -0.22 -0.76 116.57 121.30 1f05 h LYS 81 Ca 0.00 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1f05 h LYS 81 Cb 0.87 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1f05 h LYS 81 CO 0.07 0.11 -0.14 -0.91 -2.27 0.00 0.00 179.45 176.31 1f05 h ASN 82 N -0.52 0.29 -0.07 4.20 2.35 -1.47 0.34 115.58 120.70 1f05 h ASN 82 Ca -0.02 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1f05 h ASN 82 Cb 0.40 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1f05 h ASN 82 CO 0.03 0.46 -0.00 0.00 -1.65 0.00 0.00 177.43 176.27 1f05 h ALA 83 N 1.58 0.09 -0.42 -0.83 0.00 -1.25 -0.23 119.26 118.20 1f05 h ALA 83 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1f05 h ALA 83 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1f05 h ALA 83 CO 0.02 -0.22 0.13 0.82 0.00 0.00 0.00 179.25 180.00 1f05 h ILE 84 N -0.18 1.22 -0.56 0.00 2.04 -0.77 0.29 117.51 119.56 1f05 h ILE 84 Ca 0.02 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.20 1f05 h ILE 84 Cb 0.36 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1f05 h ILE 84 CO 0.00 0.25 0.32 0.44 0.00 0.00 0.00 178.15 179.17 1f05 h ASP 85 N 0.53 0.51 -0.58 1.72 3.32 -0.27 -0.84 116.42 120.80 1f05 h ASP 85 Ca 0.13 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.10 1f05 h ASP 85 Cb 0.26 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1f05 h ASP 85 CO -0.00 0.35 0.01 0.50 -1.72 0.00 0.00 179.24 178.38 1f05 h LYS 86 N 0.64 1.03 -0.13 3.56 1.63 -0.69 -2.10 116.57 120.50 1f05 h LYS 86 Ca 0.23 -0.32 0.04 0.00 -0.85 0.00 0.00 60.65 59.75 1f05 h LYS 86 Cb 0.06 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1f05 h LYS 86 CO -0.12 1.01 -0.12 1.25 -3.45 0.00 0.00 179.45 178.02 1f05 h LEU 87 N 0.92 -0.38 -0.21 5.20 5.85 0.34 0.40 115.31 127.44 1f05 h LEU 87 Ca 0.17 0.07 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1f05 h LEU 87 Cb 0.54 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1f05 h LEU 87 CO 0.03 -0.16 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.57 1f05 h PHE 88 N -0.14 -0.34 -0.97 1.25 -1.00 -1.02 -0.73 116.94 113.98 1f05 h PHE 88 Ca 0.09 0.03 0.07 0.00 2.81 0.00 0.00 57.97 60.97 1f05 h PHE 88 Cb 0.27 0.18 -0.07 0.00 3.61 0.00 0.00 35.95 39.94 1f05 h PHE 88 CO -0.24 -0.20 0.62 0.28 -1.61 0.00 0.00 178.31 177.15 1f05 h VAL 89 N -0.13 1.05 -0.10 -0.55 2.07 -0.66 0.11 116.25 118.04 1f05 h VAL 89 Ca 0.12 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1f05 h VAL 89 Cb 0.31 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.93 1f05 h VAL 89 CO -0.29 0.20 0.04 -0.07 0.02 0.00 0.00 177.57 177.48 1f05 h LEU 90 N 1.11 0.13 -0.67 2.57 3.38 0.75 0.16 115.31 122.73 1f05 h LEU 90 Ca 0.43 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.28 1f05 h LEU 90 Cb 0.21 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1f05 h LEU 90 CO -0.19 0.23 0.43 -0.26 0.09 0.00 0.00 178.44 178.74 1f05 h PHE 91 N 0.02 0.81 -0.12 1.13 -1.00 -0.70 -1.52 116.94 115.56 1f05 h PHE 91 Ca 0.03 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.88 1f05 h PHE 91 Cb 0.13 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.38 1f05 h PHE 91 CO -0.03 0.49 -0.16 0.78 -1.61 0.00 0.00 178.31 177.78 1f05 h GLY 92 N 0.86 -0.09 0.96 -1.45 0.00 -0.29 -0.49 103.07 102.57 1f05 h GLY 92 Ca 0.26 0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.79 1f05 h GLY 92 CO -0.08 -0.16 0.45 0.00 0.00 0.00 0.00 176.54 176.76 1f05 h ALA 93 N 0.85 0.89 -0.35 3.60 0.00 -0.30 -0.85 119.26 123.09 1f05 h ALA 93 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1f05 h ALA 93 Cb 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1f05 h ALA 93 CO -0.24 0.28 0.19 0.93 0.00 0.00 0.00 179.25 180.41 1f05 h GLU 94 N 0.92 0.49 -0.43 0.00 4.39 -0.87 -2.53 114.58 116.55 1f05 h GLU 94 Ca 0.26 -0.06 0.05 0.00 0.34 0.00 0.00 59.36 59.96 1f05 h GLU 94 Cb -0.07 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.44 1f05 h GLU 94 CO -0.07 0.41 0.16 0.82 -1.16 0.00 0.00 179.01 179.17 1f05 h ILE 95 N 0.44 0.89 -0.44 3.13 2.04 -0.67 -2.10 117.51 120.81 1f05 h ILE 95 Ca 0.12 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.96 1f05 h ILE 95 Cb 0.06 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1f05 h ILE 95 CO -0.02 0.06 0.30 -0.07 0.00 0.00 0.00 178.15 178.42 1f05 h LEU 96 N 0.34 0.15 -1.72 1.44 3.38 -0.76 0.40 115.31 118.55 1f05 h LEU 96 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 1f05 h LEU 96 Cb 0.17 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1f05 h LEU 96 CO -0.19 0.09 -0.00 0.11 0.09 0.00 0.00 178.44 178.54 1f05 h LYS 97 N 0.17 0.00 0.00 1.13 1.57 -1.00 -2.93 116.57 115.51 1f05 h LYS 97 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1f05 h LYS 97 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1f05 h LYS 97 CO -0.03 0.00 -1.14 1.63 -0.57 0.00 0.00 179.45 179.34 1f05 n LYS 98 N -3.09 0.30 -4.26 3.15 4.76 0.11 -4.99 118.16 114.14 1f05 n LYS 98 Ca -0.00 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.27 1f05 n LYS 98 Cb 0.27 -1.58 -0.10 0.00 -1.84 0.00 0.00 35.03 31.78 1f05 n LYS 98 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1f05 s ILE 99 N -3.21 1.14 -0.46 -0.18 -4.36 -1.06 -4.70 121.20 108.37 1f05 s ILE 99 Ca 0.03 -2.06 0.24 0.00 -0.26 0.00 0.00 60.65 58.60 1f05 s ILE 99 Cb 0.14 -1.91 0.13 0.00 1.25 0.00 0.00 42.46 42.08 1f05 s ILE 99 CO 0.82 -0.69 1.35 1.55 0.24 0.00 0.00 174.94 178.21 1f05 h PRO 100 N 2.74 0.00 0.00 0.37 0.13 -1.78 -3.45 132.00 130.01 1f05 h PRO 100 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1f05 h PRO 100 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1f05 h PRO 100 CO 0.64 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.82 1f05 n GLY 101 N 1.22 1.66 3.76 1.56 0.00 0.72 -5.04 105.19 109.07 1f05 n GLY 101 Ca 0.03 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 1f05 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1f05 s ARG 102 N 4.58 2.71 0.11 1.61 0.52 -1.26 -4.84 118.95 122.39 1f05 s ARG 102 Ca 0.00 -1.12 0.11 0.00 -0.52 0.00 0.00 55.73 54.19 1f05 s ARG 102 Cb 0.00 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.98 1f05 s ARG 102 CO 0.00 0.41 -0.26 0.08 0.02 0.00 0.00 175.30 175.54 1f05 s VAL 103 N -2.08 2.20 -0.19 3.52 1.01 -0.62 -0.84 120.40 123.40 1f05 s VAL 103 Ca 0.32 -1.68 -0.05 0.00 0.00 0.00 0.00 61.98 60.56 1f05 s VAL 103 Cb -0.08 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 1f05 s VAL 103 CO 0.23 0.12 0.01 -0.44 0.00 0.00 0.00 175.10 175.02 1f05 s SER 104 N -1.92 5.06 -0.14 3.32 0.01 -0.82 -1.11 113.70 118.11 1f05 s SER 104 Ca 0.13 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1f05 s SER 104 Cb -0.10 -1.86 0.01 0.00 0.21 0.00 0.00 66.02 64.28 1f05 s SER 104 CO 0.05 0.11 -0.20 -0.89 0.41 0.00 0.00 173.24 172.73 1f05 s THR 105 N 0.71 1.93 -0.09 1.44 2.01 -0.34 -2.59 115.64 118.71 1f05 s THR 105 Ca 0.01 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 60.99 1f05 s THR 105 Cb -0.14 -1.73 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 1f05 s THR 105 CO 0.02 0.52 0.29 -0.70 -0.69 0.00 0.00 174.62 174.06 1f05 s GLU 106 N 0.97 3.89 0.40 4.92 2.12 -1.26 -0.54 118.70 129.20 1f05 s GLU 106 Ca -0.04 0.14 -0.23 0.00 0.36 0.00 0.00 54.97 55.20 1f05 s GLU 106 Cb -0.15 -3.28 -0.10 0.00 0.26 0.00 0.00 34.13 30.86 1f05 s GLU 106 CO -0.04 0.57 0.99 0.14 -0.54 0.00 0.00 175.26 176.37 1f05 s VAL 107 N -0.54 4.08 -0.02 3.70 -7.23 -0.94 -4.80 120.40 114.65 1f05 s VAL 107 Ca 0.19 1.49 -0.36 0.00 -1.81 0.00 0.00 61.98 61.48 1f05 s VAL 107 Cb -0.14 -3.72 -0.18 0.00 0.56 0.00 0.00 36.38 32.90 1f05 s VAL 107 CO 0.07 -0.09 0.98 -0.67 -0.31 0.00 0.00 175.10 175.09 1f05 n ASP 108 N -0.19 0.05 0.31 4.85 -0.08 -1.26 -4.83 116.55 115.40 1f05 n ASP 108 Ca 0.05 1.04 0.19 0.00 -1.51 0.00 0.00 54.79 54.57 1f05 n ASP 108 Cb 0.52 -0.82 0.99 0.00 2.34 0.00 0.00 41.12 44.14 1f05 n ASP 108 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1f05 h ALA 109 N 2.78 1.10 0.00 -1.67 0.00 -1.90 -2.26 119.26 117.32 1f05 h ALA 109 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1f05 h ALA 109 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1f05 h ALA 109 CO 0.60 0.03 0.00 0.54 0.00 0.00 0.00 179.25 180.42 1f05 n ARG 110 N -3.26 0.46 -0.06 0.00 1.74 -1.26 -1.75 116.66 112.52 1f05 n ARG 110 Ca -0.02 0.04 0.08 0.00 -0.77 0.00 0.00 57.85 57.18 1f05 n ARG 110 Cb 0.15 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.20 1f05 n ARG 110 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1f05 n LEU 111 N -1.09 2.63 -0.51 0.55 4.77 -0.85 -4.67 117.00 117.84 1f05 n LEU 111 Ca 0.12 -1.23 0.42 0.00 -0.03 0.00 0.00 56.01 55.29 1f05 n LEU 111 Cb 0.09 -0.08 0.75 0.00 -2.33 0.00 0.00 43.42 41.84 1f05 n LEU 111 CO 0.11 0.52 1.37 0.28 -1.33 0.00 0.00 177.39 178.34 1f05 h SER 112 N 3.23 0.08 -0.35 -1.43 0.02 -1.51 0.37 113.55 113.96 1f05 h SER 112 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1f05 h SER 112 Cb 0.73 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1f05 h SER 112 CO 0.00 -0.04 0.00 0.49 -1.14 0.00 0.00 176.83 176.14 1f05 n PHE 113 N -4.22 0.46 -3.75 3.45 3.01 -1.26 -4.01 117.46 111.14 1f05 n PHE 113 Ca 0.36 -0.43 -0.36 0.00 1.01 0.00 0.00 57.45 58.03 1f05 n PHE 113 Cb 1.58 -0.02 -0.11 0.00 -0.01 0.00 0.00 39.48 40.93 1f05 n PHE 113 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1f05 s ASP 114 N -1.01 5.23 0.11 4.37 -1.08 0.13 -4.94 116.67 119.47 1f05 s ASP 114 Ca 0.25 -2.46 -0.26 0.00 -0.52 0.00 0.00 52.55 49.56 1f05 s ASP 114 Cb 0.14 -1.84 -0.09 0.00 -1.46 0.00 0.00 42.92 39.67 1f05 s ASP 114 CO 0.18 -0.45 1.66 0.50 0.52 0.00 0.00 175.17 177.57 1f05 h LYS 115 N 7.51 -0.38 -0.12 4.34 3.11 -1.82 -2.35 116.57 126.86 1f05 h LYS 115 Ca -0.07 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.75 1f05 h LYS 115 Cb 1.00 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.30 1f05 h LYS 115 CO 0.71 -0.25 -0.13 -0.44 -2.81 0.00 0.00 179.45 176.52 1f05 h ASP 116 N -0.40 0.18 -0.35 4.20 5.19 -1.94 -2.44 116.42 120.87 1f05 h ASP 116 Ca 0.03 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 1f05 h ASP 116 Cb 0.42 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 1f05 h ASP 116 CO -0.12 0.34 -0.37 0.00 -3.12 0.00 0.00 179.24 175.96 1f05 h ALA 117 N 1.69 0.62 -0.57 3.45 0.00 -1.87 -1.72 119.26 120.86 1f05 h ALA 117 Ca 0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1f05 h ALA 117 Cb 0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1f05 h ALA 117 CO 0.02 0.67 0.04 0.52 0.00 0.00 0.00 179.25 180.50 1f05 h MET 118 N 0.74 0.95 0.07 0.00 2.86 -1.11 -0.12 114.93 118.32 1f05 h MET 118 Ca 0.06 -0.26 -0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1f05 h MET 118 Cb 0.96 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1f05 h MET 118 CO 0.09 0.92 -0.03 0.28 1.06 0.00 0.00 176.91 179.22 1f05 h VAL 119 N 0.89 1.14 -0.62 -2.22 2.07 -1.33 -0.50 116.25 115.67 1f05 h VAL 119 Ca 0.17 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1f05 h VAL 119 Cb 0.47 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1f05 h VAL 119 CO 0.02 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.19 1f05 h ALA 120 N 0.48 0.79 -0.37 1.67 0.00 -1.23 -0.97 119.26 119.63 1f05 h ALA 120 Ca -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1f05 h ALA 120 Cb 0.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1f05 h ALA 120 CO 0.02 0.24 -0.08 -0.09 0.00 0.00 0.00 179.25 179.34 1f05 h ARG 121 N 0.84 0.62 -0.32 0.00 9.65 -1.00 -1.32 114.38 122.85 1f05 h ARG 121 Ca 0.23 -0.17 -0.05 0.00 -1.10 0.00 0.00 59.98 58.88 1f05 h ARG 121 Cb -0.07 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1f05 h ARG 121 CO -0.05 0.69 -0.01 0.00 2.80 0.00 0.00 179.97 183.41 1f05 h ALA 122 N 1.35 0.43 -0.72 2.80 0.00 -0.42 -1.30 119.26 121.39 1f05 h ALA 122 Ca 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1f05 h ALA 122 Cb 0.48 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1f05 h ALA 122 CO 0.03 0.19 0.39 0.00 0.00 0.00 0.00 179.25 179.86 1f05 h ARG 123 N 0.36 1.00 -0.25 0.00 3.08 -0.91 -1.39 114.38 116.27 1f05 h ARG 123 Ca 0.09 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1f05 h ARG 123 Cb 0.46 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1f05 h ARG 123 CO 0.02 0.74 0.16 -0.09 -1.07 0.00 0.00 179.97 179.73 1f05 h ARG 124 N 1.01 0.33 -0.66 0.04 9.65 -0.88 -0.50 114.38 123.37 1f05 h ARG 124 Ca 0.26 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.09 1f05 h ARG 124 Cb 0.03 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 1f05 h ARG 124 CO -0.04 0.23 0.31 -0.07 2.80 0.00 0.00 179.97 183.20 1f05 h LEU 125 N 0.33 0.87 -1.60 3.80 3.38 -0.65 -0.70 115.31 120.75 1f05 h LEU 125 Ca 0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1f05 h LEU 125 Cb -0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1f05 h LEU 125 CO -0.02 0.77 -0.04 0.40 0.09 0.00 0.00 178.44 179.64 1f05 h ILE 126 N 0.92 1.12 0.07 1.22 1.08 -0.93 -1.01 117.51 119.98 1f05 h ILE 126 Ca 0.23 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1f05 h ILE 126 Cb 0.13 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.94 1f05 h ILE 126 CO -0.03 0.16 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.47 1f05 h GLU 127 N 0.20 -0.10 -0.73 2.37 4.57 -0.25 -1.15 114.58 119.50 1f05 h GLU 127 Ca 0.05 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1f05 h GLU 127 Cb 0.21 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 1f05 h GLU 127 CO 0.01 0.35 0.37 -0.07 -1.18 0.00 0.00 179.01 178.48 1f05 h LEU 128 N -0.58 0.47 -0.73 1.64 3.38 -0.68 0.21 115.31 119.02 1f05 h LEU 128 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1f05 h LEU 128 Cb 0.49 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1f05 h LEU 128 CO 0.02 0.26 0.40 1.88 0.09 0.00 0.00 178.44 181.09 1f05 h TYR 129 N 0.61 1.00 -0.72 1.13 0.05 -1.16 -2.10 116.97 115.78 1f05 h TYR 129 Ca 0.36 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 1f05 h TYR 129 Cb 0.39 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1f05 h TYR 129 CO -0.11 0.71 0.40 -0.22 -1.05 0.00 0.00 178.16 177.89 1f05 h LYS 130 N 1.01 0.99 0.00 4.88 3.64 0.44 -0.16 116.57 127.37 1f05 h LYS 130 Ca 0.26 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1f05 h LYS 130 Cb 0.03 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1f05 h LYS 130 CO -0.04 0.72 -0.11 0.93 -2.27 0.00 0.00 179.45 178.68 1f05 h GLU 131 N 1.00 0.00 -0.60 1.90 5.08 -0.05 -1.18 114.58 120.74 1f05 h GLU 131 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1f05 h GLU 131 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1f05 h GLU 131 CO -0.04 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 1f05 n ALA 132 N -2.24 2.83 -1.09 3.43 0.00 -0.20 -4.92 120.51 118.32 1f05 n ALA 132 Ca -0.01 -1.13 -0.03 0.00 0.00 0.00 0.00 53.44 52.27 1f05 n ALA 132 Cb 0.26 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1f05 n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f05 n GLY 133 N 1.03 0.60 3.72 0.00 0.00 -0.45 -5.02 105.19 105.08 1f05 n GLY 133 Ca 0.19 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1f05 n GLY 133 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f05 s ILE 134 N -1.96 5.38 0.49 -0.61 -1.09 -0.43 -4.99 121.20 117.99 1f05 s ILE 134 Ca 0.00 0.27 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 1f05 s ILE 134 Cb 0.00 -3.51 -0.09 0.00 -1.58 0.00 0.00 42.46 37.29 1f05 s ILE 134 CO 0.00 0.42 0.98 -0.55 -1.23 0.00 0.00 174.94 174.56 1f05 s SER 135 N 0.44 6.66 0.56 3.58 0.15 -1.26 -3.35 113.70 120.48 1f05 s SER 135 Ca 0.10 1.65 0.36 0.00 0.70 0.00 0.00 55.95 58.75 1f05 s SER 135 Cb -0.12 -2.52 1.62 0.00 -1.71 0.00 0.00 66.02 63.29 1f05 s SER 135 CO -0.00 -0.56 2.06 0.07 1.20 0.00 0.00 173.24 176.01 1f05 h LYS 136 N 1.26 0.00 0.00 5.44 2.10 -1.94 -2.23 116.57 121.20 1f05 h LYS 136 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1f05 h LYS 136 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1f05 h LYS 136 CO 0.61 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.81 1f05 n ASP 137 N -3.02 0.45 -0.78 7.07 10.43 -1.26 -0.43 116.55 129.01 1f05 n ASP 137 Ca -0.00 0.67 0.12 0.00 2.57 0.00 0.00 54.79 58.14 1f05 n ASP 137 Cb 0.23 -0.74 0.11 0.00 1.84 0.00 0.00 41.12 42.56 1f05 n ASP 137 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1f05 n ARG 138 N -2.06 1.94 -4.97 -1.24 5.12 -0.84 -4.82 116.66 109.78 1f05 n ARG 138 Ca 0.00 -1.57 -0.31 0.00 -1.93 0.00 0.00 57.85 54.05 1f05 n ARG 138 Cb 0.10 -1.47 -0.15 0.00 -1.16 0.00 0.00 32.46 29.79 1f05 n ARG 138 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1f05 s ILE 139 N -2.14 2.24 -0.16 0.55 -1.09 0.42 -1.59 121.20 119.43 1f05 s ILE 139 Ca 0.26 -1.27 -0.00 0.00 -2.23 0.00 0.00 60.65 57.41 1f05 s ILE 139 Cb 0.20 -1.86 0.04 0.00 -1.58 0.00 0.00 42.46 39.25 1f05 s ILE 139 CO 0.38 0.42 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.68 1f05 s LEU 140 N -1.09 1.73 -0.25 2.97 1.43 -0.27 -4.45 118.68 118.75 1f05 s LEU 140 Ca 0.12 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1f05 s LEU 140 Cb -0.10 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.09 1f05 s LEU 140 CO 0.02 -0.15 0.85 -0.63 0.23 0.00 0.00 176.35 176.67 1f05 s ILE 141 N 1.56 4.81 -0.03 -0.59 -1.09 -0.44 -1.20 121.20 124.22 1f05 s ILE 141 Ca 0.01 1.55 -0.28 0.00 -2.23 0.00 0.00 60.65 59.71 1f05 s ILE 141 Cb -0.15 -4.15 -0.03 0.00 -1.58 0.00 0.00 42.46 36.56 1f05 s ILE 141 CO -0.08 -0.12 0.88 -0.54 -1.23 0.00 0.00 174.94 173.85 1f05 s LYS 142 N 2.92 4.50 0.03 2.79 1.02 0.30 -0.37 119.74 130.94 1f05 s LYS 142 Ca 0.36 1.23 0.05 0.00 0.02 0.00 0.00 55.97 57.62 1f05 s LYS 142 Cb -0.15 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.67 1f05 s LYS 142 CO 0.08 -0.04 -0.16 -0.51 -0.92 0.00 0.00 175.35 173.81 1f05 s LEU 143 N 1.04 2.15 0.36 3.17 1.43 -0.79 -2.21 118.68 123.84 1f05 s LEU 143 Ca 0.47 -0.45 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1f05 s LEU 143 Cb -0.20 -0.70 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 1f05 s LEU 143 CO 0.24 0.08 1.38 -0.44 0.23 0.00 0.00 176.35 177.83 1f05 s SER 144 N -1.06 6.50 -0.90 2.29 0.01 -1.26 -0.66 113.70 118.62 1f05 s SER 144 Ca 0.03 2.83 -0.07 0.00 1.31 0.00 0.00 55.95 60.05 1f05 s SER 144 Cb -0.08 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.42 1f05 s SER 144 CO 0.01 -0.74 3.03 -1.20 0.41 0.00 0.00 173.24 174.75 1f05 n SER 145 N 0.52 7.23 -4.96 2.44 7.64 0.04 -4.20 113.62 122.33 1f05 n SER 145 Ca 0.01 -2.75 -0.23 0.00 1.01 0.00 0.00 58.87 56.92 1f05 n SER 145 Cb 0.41 -1.43 0.03 0.00 -1.01 0.00 0.00 64.21 62.22 1f05 n SER 145 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1f05 s THR 146 N 0.51 3.01 0.22 0.44 -4.23 -1.26 -4.86 115.64 109.46 1f05 s THR 146 Ca 0.64 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 1f05 s THR 146 Cb 0.25 -3.15 0.16 0.00 1.34 0.00 0.00 72.50 71.10 1f05 s THR 146 CO -0.07 -0.12 1.78 -0.25 -0.54 0.00 0.00 174.62 175.42 1f05 h TRP 147 N 0.03 0.60 -0.32 3.99 2.91 -1.90 -0.09 115.95 121.17 1f05 h TRP 147 Ca -0.44 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.50 1f05 h TRP 147 Cb 1.29 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 29.75 1f05 h TRP 147 CO 0.39 0.23 -0.25 1.05 -1.03 0.00 0.00 178.44 178.83 1f05 h GLU 148 N 0.59 0.63 -0.67 2.65 9.09 -1.92 -0.55 114.58 124.39 1f05 h GLU 148 Ca 0.32 -0.25 -0.06 0.00 0.05 0.00 0.00 59.36 59.42 1f05 h GLU 148 Cb 0.31 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.35 1f05 h GLU 148 CO -0.25 0.83 0.18 0.78 0.05 0.00 0.00 179.01 180.60 1f05 h GLY 149 N 1.00 1.13 1.20 1.06 0.00 -1.49 0.27 103.07 106.24 1f05 h GLY 149 Ca 0.08 -0.68 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1f05 h GLY 149 CO 0.06 0.64 -0.25 -2.22 0.00 0.00 0.00 176.54 174.76 1f05 h ILE 150 N 1.01 1.27 -0.14 2.60 2.04 -0.75 0.19 117.51 123.73 1f05 h ILE 150 Ca 0.21 -1.41 -0.11 0.00 1.00 0.00 0.00 64.86 64.56 1f05 h ILE 150 Cb 0.33 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1f05 h ILE 150 CO -0.00 0.48 -0.38 1.56 0.00 0.00 0.00 178.15 179.80 1f05 h GLN 151 N 0.77 0.30 -0.53 2.37 1.08 -0.66 0.12 115.11 118.56 1f05 h GLN 151 Ca 0.09 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.07 1f05 h GLN 151 Cb 0.81 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.22 1f05 h GLN 151 CO 0.07 0.64 -0.00 0.00 -0.95 0.00 0.00 178.83 178.59 1f05 h ALA 152 N 1.35 0.71 -0.05 3.87 0.00 -0.06 -1.05 119.26 124.04 1f05 h ALA 152 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1f05 h ALA 152 Cb 0.79 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1f05 h ALA 152 CO 0.06 0.54 -0.00 0.78 0.00 0.00 0.00 179.25 180.62 1f05 h GLY 153 N 0.81 0.04 0.30 0.00 0.00 -0.30 0.79 103.07 104.71 1f05 h GLY 153 Ca 0.15 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.55 1f05 h GLY 153 CO 0.03 -0.01 -0.17 1.70 0.00 0.00 0.00 176.54 178.09 1f05 h LYS 154 N 0.01 -0.15 -0.49 4.80 3.64 -0.71 -0.81 116.57 122.86 1f05 h LYS 154 Ca 0.02 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1f05 h LYS 154 Cb 0.03 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1f05 h LYS 154 CO -0.05 -0.10 0.32 1.49 -2.27 0.00 0.00 179.45 178.84 1f05 h GLU 155 N -0.16 0.64 -0.75 1.90 4.81 -0.87 -1.04 114.58 119.11 1f05 h GLU 155 Ca 0.13 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1f05 h GLU 155 Cb 0.36 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1f05 h GLU 155 CO -0.33 0.43 0.48 -0.07 -0.73 0.00 0.00 179.01 178.79 1f05 h LEU 156 N 0.66 0.80 -0.09 1.64 3.38 -0.32 0.36 115.31 121.74 1f05 h LEU 156 Ca 0.18 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1f05 h LEU 156 Cb -0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 1f05 h LEU 156 CO -0.04 0.56 -0.08 -0.33 0.09 0.00 0.00 178.44 178.64 1f05 h GLU 157 N 0.94 0.21 0.20 1.13 4.39 -0.88 0.70 114.58 121.27 1f05 h GLU 157 Ca 0.30 -0.11 -0.31 0.00 0.34 0.00 0.00 59.36 59.58 1f05 h GLU 157 Cb -0.00 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1f05 h GLU 157 CO -0.10 0.62 -1.37 0.93 -1.16 0.00 0.00 179.01 177.93 1f05 h GLU 158 N -0.20 0.48 0.00 2.33 5.08 -1.09 -2.71 114.58 118.46 1f05 h GLU 158 Ca 0.01 -0.78 -0.09 0.00 -1.00 0.00 0.00 59.36 57.50 1f05 h GLU 158 Cb 0.58 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1f05 h GLU 158 CO 0.02 1.37 -1.65 1.04 -1.00 0.00 0.00 179.01 178.78 1f05 n GLN 159 N -3.68 0.64 0.00 2.33 1.13 0.12 -4.58 117.38 113.34 1f05 n GLN 159 Ca -0.14 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 54.94 1f05 n GLN 159 Cb 1.06 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.74 1f05 n GLN 159 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1f05 n HIS 160 N -2.59 0.00 -2.59 1.08 8.25 -0.87 -5.01 115.22 113.49 1f05 n HIS 160 Ca -0.08 -0.02 -0.21 0.00 -0.26 0.00 0.00 57.72 57.15 1f05 n HIS 160 Cb 0.71 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 1f05 n HIS 160 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1f05 n GLY 161 N -0.02 -0.48 3.54 -1.41 0.00 -0.42 -4.96 105.19 101.44 1f05 n GLY 161 Ca 0.00 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1f05 n GLY 161 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f05 s ILE 162 N -3.07 4.73 0.08 -0.61 1.01 0.11 -4.95 121.20 118.50 1f05 s ILE 162 Ca 0.10 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.42 1f05 s ILE 162 Cb -0.04 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1f05 s ILE 162 CO 0.12 0.35 0.92 -1.00 0.00 0.00 0.00 174.94 175.33 1f05 s HIS 163 N 1.25 3.78 0.22 3.97 3.76 -1.26 -2.93 115.29 124.08 1f05 s HIS 163 Ca 0.05 1.71 0.10 0.00 -0.15 0.00 0.00 55.06 56.78 1f05 s HIS 163 Cb -0.14 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 1f05 s HIS 163 CO 0.04 0.20 -0.14 0.00 -0.85 0.00 0.00 174.74 173.99 1f05 s ASN 165 N -3.10 4.43 -0.31 0.00 3.84 0.50 -1.68 114.94 118.62 1f05 s ASN 165 Ca 0.26 -2.64 -0.29 0.00 0.21 0.00 0.00 52.86 50.40 1f05 s ASN 165 Cb -0.07 -1.58 -0.01 0.00 -0.55 0.00 0.00 41.25 39.04 1f05 s ASN 165 CO 0.15 -0.29 1.50 -0.04 -2.79 0.00 0.00 177.10 175.62 1f05 s MET 166 N 0.23 3.69 0.45 0.43 -1.94 0.36 -1.88 119.30 120.65 1f05 s MET 166 Ca 0.15 1.30 0.04 0.00 -1.71 0.00 0.00 55.69 55.47 1f05 s MET 166 Cb -0.23 -4.01 0.04 0.00 2.01 0.00 0.00 34.83 32.63 1f05 s MET 166 CO -0.04 -1.41 0.32 -2.37 -0.01 0.00 0.00 175.02 171.52 1f05 n THR 167 N 6.70 0.00 -3.90 2.05 5.66 0.16 -0.32 114.28 124.63 1f05 n THR 167 Ca 0.18 -1.81 -0.29 0.00 -3.05 0.00 0.00 64.05 59.07 1f05 n THR 167 Cb 0.47 -0.08 0.02 0.00 -1.55 0.00 0.00 70.33 69.18 1f05 n THR 167 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1f05 n LEU 168 N 0.00 -2.57 -4.59 1.09 4.77 -1.25 -0.78 117.00 113.67 1f05 n LEU 168 Ca -0.02 -0.81 -0.41 0.00 -0.03 0.00 0.00 56.01 54.74 1f05 n LEU 168 Cb 0.52 -2.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.00 1f05 n LEU 168 CO 0.30 0.45 0.26 -0.22 -1.33 0.00 0.00 177.39 176.86 1f05 s LEU 169 N -7.18 4.19 0.00 2.23 0.20 -1.25 -4.37 118.68 112.50 1f05 s LEU 169 Ca 0.54 0.25 0.00 0.00 0.69 0.00 0.00 54.13 55.61 1f05 s LEU 169 Cb -0.27 -2.65 0.00 0.00 -0.43 0.00 0.00 46.19 42.83 1f05 s LEU 169 CO 0.84 -0.41 0.00 0.49 -0.29 0.00 0.00 176.35 176.98 1f05 n PHE 170 N 5.70 0.00 -2.51 5.38 3.72 -1.26 -2.85 117.46 125.65 1f05 n PHE 170 Ca -0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 1f05 n PHE 170 Cb 0.49 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1f05 n PHE 170 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1f05 s SER 171 N -4.24 5.79 0.27 4.37 1.04 -1.26 -4.83 113.70 114.84 1f05 s SER 171 Ca 0.00 0.73 0.07 0.00 0.48 0.00 0.00 55.95 57.24 1f05 s SER 171 Cb 0.00 -1.84 0.37 0.00 0.10 0.00 0.00 66.02 64.66 1f05 s SER 171 CO 0.00 -0.90 1.63 0.15 0.98 0.00 0.00 173.24 175.10 1f05 h PHE 172 N -0.02 0.18 -0.18 5.02 3.57 -1.96 -2.77 116.94 120.78 1f05 h PHE 172 Ca -0.46 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 60.99 1f05 h PHE 172 Cb 1.24 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1f05 h PHE 172 CO 0.50 0.66 0.10 0.00 -2.23 0.00 0.00 178.31 177.34 1f05 h ALA 173 N 1.33 0.22 -0.32 2.41 0.00 -1.92 0.42 119.26 121.40 1f05 h ALA 173 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1f05 h ALA 173 Cb 1.00 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1f05 h ALA 173 CO 0.08 -0.32 0.04 1.96 0.00 0.00 0.00 179.25 181.01 1f05 h GLN 174 N 0.21 0.14 -0.97 0.00 4.20 -1.88 0.83 115.11 117.65 1f05 h GLN 174 Ca 0.07 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.86 1f05 h GLN 174 Cb 0.00 -0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.68 1f05 h GLN 174 CO -0.04 0.10 0.61 0.00 -0.67 0.00 0.00 178.83 178.82 1f05 h ALA 175 N 1.25 1.40 0.04 3.87 0.00 -1.14 -0.50 119.26 124.17 1f05 h ALA 175 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f05 h ALA 175 Cb 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1f05 h ALA 175 CO -0.21 0.30 -0.02 0.28 0.00 0.00 0.00 179.25 179.60 1f05 h VAL 176 N 1.04 1.23 -0.92 0.00 2.07 0.22 -2.24 116.25 117.65 1f05 h VAL 176 Ca 0.45 -0.91 0.09 0.00 0.82 0.00 0.00 66.70 67.15 1f05 h VAL 176 Cb 0.32 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1f05 h VAL 176 CO -0.22 0.23 0.59 0.00 0.02 0.00 0.00 177.57 178.19 1f05 h ALA 177 N 0.47 1.59 -0.56 1.67 0.00 -0.46 -1.32 119.26 120.65 1f05 h ALA 177 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1f05 h ALA 177 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1f05 h ALA 177 CO 0.01 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.48 1f05 h ALA 179 N 0.96 0.26 0.00 0.00 0.00 -0.64 -2.19 119.26 117.64 1f05 h ALA 179 Ca 0.16 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1f05 h ALA 179 Cb 0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1f05 h ALA 179 CO 0.03 -0.20 -0.28 0.93 0.00 0.00 0.00 179.25 179.72 1f05 h GLU 180 N 0.22 0.00 0.00 0.00 5.08 -1.27 -1.38 114.58 117.22 1f05 h GLU 180 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1f05 h GLU 180 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1f05 h GLU 180 CO -0.01 0.28 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 1f05 n ALA 181 N -2.31 2.08 -2.88 3.43 0.00 -0.42 -4.91 120.51 115.51 1f05 n ALA 181 Ca -0.01 -0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.14 1f05 n ALA 181 Cb 0.41 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1f05 n ALA 181 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f05 n GLY 182 N 0.90 -0.47 3.77 0.00 0.00 -0.52 -4.49 105.19 104.38 1f05 n GLY 182 Ca 0.06 0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1f05 n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1f05 s VAL 183 N -3.13 3.27 0.09 1.61 -7.23 -1.16 -4.97 120.40 108.88 1f05 s VAL 183 Ca 0.24 0.53 -0.18 0.00 -1.81 0.00 0.00 61.98 60.75 1f05 s VAL 183 Cb -0.11 -3.04 -0.08 0.00 0.56 0.00 0.00 36.38 33.72 1f05 s VAL 183 CO 0.29 -0.42 1.52 0.74 -0.31 0.00 0.00 175.10 176.92 1f05 h THR 184 N -0.35 1.26 -3.08 5.32 2.02 -1.94 -3.39 112.91 112.75 1f05 h THR 184 Ca -0.46 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 65.67 1f05 h THR 184 Cb 1.24 1.36 -0.20 0.00 -1.74 0.00 0.00 68.15 68.82 1f05 h THR 184 CO 0.53 0.29 -0.29 -0.22 0.37 0.00 0.00 175.52 176.20 1f05 s LEU 185 N -9.46 0.91 0.08 2.58 0.20 -0.68 -0.63 118.68 111.68 1f05 s LEU 185 Ca -0.14 0.05 0.08 0.00 0.69 0.00 0.00 54.13 54.82 1f05 s LEU 185 Cb 0.08 1.22 -0.03 0.00 -0.43 0.00 0.00 46.19 47.02 1f05 s LEU 185 CO 0.75 -0.45 -0.21 0.27 -0.29 0.00 0.00 176.35 176.42 1f05 s ILE 186 N -1.36 1.75 -0.52 6.68 -4.36 -0.41 -0.49 121.20 122.49 1f05 s ILE 186 Ca -0.14 -1.43 0.03 0.00 -0.26 0.00 0.00 60.65 58.86 1f05 s ILE 186 Cb -0.05 -1.56 0.15 0.00 1.25 0.00 0.00 42.46 42.24 1f05 s ILE 186 CO 0.04 0.06 0.32 -0.94 0.24 0.00 0.00 174.94 174.66 1f05 s SER 187 N -1.64 3.82 0.13 4.36 1.04 0.56 -1.69 113.70 120.29 1f05 s SER 187 Ca 0.07 -3.07 -0.31 0.00 0.48 0.00 0.00 55.95 53.12 1f05 s SER 187 Cb -0.10 -1.24 -0.09 0.00 0.10 0.00 0.00 66.02 64.69 1f05 s SER 187 CO 0.03 -0.20 1.53 -2.84 0.98 0.00 0.00 173.24 172.74 1f05 s PRO 188 N -0.27 4.24 -0.02 4.02 0.02 -1.18 -3.92 135.00 137.89 1f05 s PRO 188 Ca 0.21 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.22 1f05 s PRO 188 Cb -0.16 -3.26 -0.03 0.00 0.02 0.00 0.00 34.50 31.06 1f05 s PRO 188 CO -0.06 -0.58 0.88 -0.06 -0.33 0.00 0.00 177.00 176.84 1f05 s PHE 189 N 1.41 3.64 -0.20 6.54 0.40 -1.13 -0.64 117.98 128.00 1f05 s PHE 189 Ca 0.69 1.54 -0.16 0.00 -0.60 0.00 0.00 56.93 58.40 1f05 s PHE 189 Cb -0.41 -3.00 -0.08 0.00 0.51 0.00 0.00 43.02 40.04 1f05 s PHE 189 CO 0.31 0.04 -0.27 0.28 0.70 0.00 0.00 175.22 176.27 1f05 n VAL 190 N 3.80 1.49 0.22 -0.44 0.31 0.57 -4.38 118.33 119.90 1f05 n VAL 190 Ca 0.03 0.03 0.06 0.00 -0.01 0.00 0.00 64.34 64.46 1f05 n VAL 190 Cb 0.51 -2.24 0.56 0.00 -0.91 0.00 0.00 33.84 31.77 1f05 n VAL 190 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1f05 h GLY 191 N -1.00 0.07 2.00 2.92 0.00 -0.35 -2.00 103.07 104.70 1f05 h GLY 191 Ca -0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1f05 h GLY 191 CO -0.11 0.03 -0.10 3.21 0.00 0.00 0.00 176.54 179.57 1f05 h ARG 192 N 0.06 0.00 0.07 4.80 3.08 -1.81 0.11 114.38 120.68 1f05 h ARG 192 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1f05 h ARG 192 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1f05 h ARG 192 CO 0.01 0.10 -1.09 0.82 -1.07 0.00 0.00 179.97 178.74 1f05 h ILE 193 N 0.00 1.47 -0.18 2.04 2.04 -1.57 -2.37 117.51 118.94 1f05 h ILE 193 Ca -0.00 -2.80 -0.02 0.00 1.00 0.00 0.00 64.86 63.04 1f05 h ILE 193 Cb 0.67 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.44 1f05 h ILE 193 CO 0.01 0.82 0.02 0.25 0.00 0.00 0.00 178.15 179.26 1f05 h LEU 194 N 0.13 0.29 -0.55 1.44 5.85 -1.07 -2.29 115.31 119.11 1f05 h LEU 194 Ca -0.10 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.45 1f05 h LEU 194 Cb 1.77 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.64 1f05 h LEU 194 CO 0.18 0.48 0.08 0.44 -0.34 0.00 0.00 178.44 179.28 1f05 h ASP 195 N 0.08 -0.07 -0.14 1.25 3.32 -0.77 0.27 116.42 120.36 1f05 h ASP 195 Ca 0.05 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1f05 h ASP 195 Cb 0.32 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1f05 h ASP 195 CO 0.00 -0.02 0.08 -0.25 -1.72 0.00 0.00 179.24 177.34 1f05 h TRP 196 N 0.20 0.18 -0.00 4.55 7.01 -1.27 -0.16 115.95 126.46 1f05 h TRP 196 Ca 0.28 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.21 1f05 h TRP 196 Cb 0.42 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1f05 h TRP 196 CO -0.27 0.18 -0.33 0.45 -2.79 0.00 0.00 178.44 175.68 1f05 h HIS 197 N 0.13 0.01 -0.16 2.65 3.86 -0.80 0.14 115.15 120.98 1f05 h HIS 197 Ca 0.05 -0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1f05 h HIS 197 Cb 0.06 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1f05 h HIS 197 CO -0.05 0.34 -0.37 0.28 0.86 0.00 0.00 177.93 179.00 1f05 h VAL 198 N 0.00 1.35 -0.08 2.45 2.07 -0.15 -1.89 116.25 120.00 1f05 h VAL 198 Ca -0.00 -1.63 -0.20 0.00 0.82 0.00 0.00 66.70 65.69 1f05 h VAL 198 Cb 0.59 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1f05 h VAL 198 CO 0.04 0.49 -0.77 0.00 0.02 0.00 0.00 177.57 177.36 1f05 h ALA 199 N 0.55 0.51 0.00 1.67 0.00 -0.81 -3.40 119.26 117.77 1f05 h ALA 199 Ca -0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 54.91 54.07 1f05 h ALA 199 Cb 0.97 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1f05 h ALA 199 CO 0.08 0.75 -1.53 0.09 0.00 0.00 0.00 179.25 178.64 1f05 n ASN 200 N -3.85 1.91 -3.58 0.00 3.02 0.48 -4.96 115.26 108.27 1f05 n ASN 200 Ca -0.05 0.41 -0.29 0.00 -0.03 0.00 0.00 54.58 54.62 1f05 n ASN 200 Cb 0.73 -0.84 0.23 0.00 -0.61 0.00 0.00 39.78 39.29 1f05 n ASN 200 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1f05 n THR 201 N -4.41 0.00 -0.69 3.41 -2.24 -0.71 -4.96 114.28 104.69 1f05 n THR 201 Ca -0.32 -0.57 0.08 0.00 -2.27 0.00 0.00 64.05 60.98 1f05 n THR 201 Cb 0.65 -1.29 0.33 0.00 -2.10 0.00 0.00 70.33 67.91 1f05 n THR 201 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1f05 n ASP 202 N -4.60 4.57 -4.81 3.42 5.68 -1.26 -4.72 116.55 114.83 1f05 n ASP 202 Ca 0.15 -2.58 -0.37 0.00 -0.50 0.00 0.00 54.79 51.50 1f05 n ASP 202 Cb 0.56 -0.55 -0.07 0.00 -1.14 0.00 0.00 41.12 39.93 1f05 n ASP 202 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1f05 s LYS 203 N -2.07 3.84 -0.16 0.11 2.20 -1.26 -5.01 119.74 117.40 1f05 s LYS 203 Ca 0.47 0.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.07 1f05 s LYS 203 Cb 0.32 -3.28 -0.24 0.00 -1.51 0.00 0.00 37.83 33.12 1f05 s LYS 203 CO 0.20 0.57 0.21 1.63 -0.36 0.00 0.00 175.35 177.59 1f05 n LYS 204 N 2.53 0.73 -4.11 4.03 5.02 -1.26 -4.29 118.16 120.81 1f05 n LYS 204 Ca -0.16 0.24 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1f05 n LYS 204 Cb 0.53 -1.66 -0.13 0.00 -0.02 0.00 0.00 35.03 33.75 1f05 n LYS 204 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1f05 s SER 205 N -6.91 0.79 0.32 4.39 1.04 -1.26 -4.93 113.70 107.14 1f05 s SER 205 Ca -0.26 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 55.87 1f05 s SER 205 Cb 0.07 -0.01 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 1f05 s SER 205 CO 0.72 -0.09 -0.03 -0.31 0.98 0.00 0.00 173.24 174.52 1f05 s TYR 206 N -0.85 2.10 0.24 5.02 1.51 -1.26 -5.10 117.35 119.00 1f05 s TYR 206 Ca -0.05 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.01 1f05 s TYR 206 Cb -0.07 -1.28 -0.09 0.00 -0.11 0.00 0.00 41.96 40.42 1f05 s TYR 206 CO 0.00 0.30 0.92 -1.21 -1.11 0.00 0.00 175.55 174.44 1f05 s GLU 207 N -3.74 4.78 0.22 -0.62 0.41 -1.26 -4.80 118.70 113.69 1f05 s GLU 207 Ca 0.32 1.42 -0.07 0.00 -0.41 0.00 0.00 54.97 56.23 1f05 s GLU 207 Cb 0.05 -3.21 0.35 0.00 -1.78 0.00 0.00 34.13 29.54 1f05 s GLU 207 CO 0.14 0.49 1.21 -2.30 -0.49 0.00 0.00 175.26 174.32 1f05 n PRO 208 N 1.37 -0.08 0.27 0.39 -0.02 -1.26 0.19 135.00 135.86 1f05 n PRO 208 Ca -0.02 1.21 0.16 0.00 -2.02 0.00 0.00 63.50 62.83 1f05 n PRO 208 Cb 0.48 -1.81 0.70 0.00 -0.02 0.00 0.00 33.50 32.84 1f05 n PRO 208 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1f05 h LEU 209 N 0.00 0.00 -0.06 2.45 -0.00 -1.91 -2.75 115.31 113.03 1f05 h LEU 209 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.25 1f05 h LEU 209 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 1f05 h LEU 209 CO -0.80 0.06 -0.72 -0.62 -0.00 0.00 0.00 178.44 176.36 1f05 n GLU 210 N -3.21 0.09 -1.68 1.13 -0.58 0.52 -4.67 120.64 112.23 1f05 n GLU 210 Ca -0.00 -0.06 -0.50 0.00 -0.42 0.00 0.00 57.16 56.17 1f05 n GLU 210 Cb 0.30 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.62 1f05 n GLU 210 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1f05 n ASP 211 N -1.40 3.13 -0.34 1.62 -0.08 -0.13 -4.79 116.55 114.56 1f05 n ASP 211 Ca 0.05 1.01 0.15 0.00 -1.51 0.00 0.00 54.79 54.50 1f05 n ASP 211 Cb 0.34 -1.32 0.37 0.00 2.34 0.00 0.00 41.12 42.85 1f05 n ASP 211 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1f05 h PRO 212 N 8.34 0.64 -0.30 -0.67 0.11 -1.91 0.13 132.00 138.34 1f05 h PRO 212 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1f05 h PRO 212 Cb 1.28 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1f05 h PRO 212 CO 0.94 0.43 0.02 0.78 -0.21 0.00 0.00 178.00 179.96 1f05 h GLY 213 N 0.66 0.56 1.29 -0.55 0.00 -1.86 -1.29 103.07 101.88 1f05 h GLY 213 Ca 0.59 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1f05 h GLY 213 CO -0.37 0.36 0.34 -2.08 0.00 0.00 0.00 176.54 174.79 1f05 h VAL 214 N 0.32 1.21 -0.40 4.60 2.07 -1.33 -2.23 116.25 120.49 1f05 h VAL 214 Ca 0.09 -0.55 -0.14 0.00 0.82 0.00 0.00 66.70 66.92 1f05 h VAL 214 Cb 0.40 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1f05 h VAL 214 CO 0.01 0.24 -0.31 0.11 0.02 0.00 0.00 177.57 177.64 1f05 h LYS 215 N 0.94 0.88 -0.46 1.57 1.57 -0.83 0.43 116.57 120.66 1f05 h LYS 215 Ca 0.23 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1f05 h LYS 215 Cb 0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1f05 h LYS 215 CO -0.03 1.06 0.28 0.77 -0.57 0.00 0.00 179.45 180.95 1f05 h SER 216 N 0.74 0.56 0.02 0.86 0.02 -0.81 0.40 113.55 115.35 1f05 h SER 216 Ca 0.08 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1f05 h SER 216 Cb 0.87 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1f05 h SER 216 CO 0.08 0.46 -0.54 0.58 -1.14 0.00 0.00 176.83 176.27 1f05 h VAL 217 N 0.61 1.32 -0.12 2.27 2.07 -1.32 -1.06 116.25 120.03 1f05 h VAL 217 Ca 0.17 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1f05 h VAL 217 Cb 0.00 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1f05 h VAL 217 CO -0.03 0.55 0.05 0.74 0.02 0.00 0.00 177.57 178.90 1f05 h THR 218 N 0.43 1.13 -0.02 2.57 2.02 -0.60 0.80 112.91 119.24 1f05 h THR 218 Ca 0.01 -0.39 0.01 0.00 0.77 0.00 0.00 66.41 66.81 1f05 h THR 218 Cb 1.07 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1f05 h THR 218 CO 0.10 0.12 -0.04 0.50 0.37 0.00 0.00 175.52 176.57 1f05 h LYS 219 N 0.05 -0.06 -0.60 6.66 3.64 -0.84 -1.06 116.57 124.36 1f05 h LYS 219 Ca 0.04 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1f05 h LYS 219 Cb 0.14 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 1f05 h LYS 219 CO -0.00 -0.04 0.34 0.82 -2.27 0.00 0.00 179.45 178.29 1f05 h ILE 220 N -0.06 1.00 -0.43 2.00 2.04 -1.03 -1.13 117.51 119.90 1f05 h ILE 220 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1f05 h ILE 220 Cb 0.09 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 1f05 h ILE 220 CO -0.06 0.12 0.28 0.22 0.00 0.00 0.00 178.15 178.71 1f05 h TYR 221 N 0.65 0.54 -0.69 1.37 3.20 -0.46 -0.83 116.97 120.76 1f05 h TYR 221 Ca 0.26 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1f05 h TYR 221 Cb 0.12 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1f05 h TYR 221 CO -0.08 0.35 0.22 -0.91 -1.64 0.00 0.00 178.16 176.11 1f05 h ASN 222 N 0.58 0.99 -0.08 -2.11 2.35 -0.75 -1.16 115.58 115.40 1f05 h ASN 222 Ca 0.16 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1f05 h ASN 222 Cb -0.06 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.05 1f05 h ASN 222 CO -0.03 0.93 0.04 0.22 -1.65 0.00 0.00 177.43 176.94 1f05 h TYR 223 N 1.00 0.11 0.07 1.19 3.20 -0.92 0.13 116.97 121.76 1f05 h TYR 223 Ca 0.22 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.10 1f05 h TYR 223 Cb 0.29 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1f05 h TYR 223 CO 0.02 0.15 -0.11 1.88 -1.64 0.00 0.00 178.16 178.45 1f05 h TYR 224 N 0.04 -0.29 -0.26 -3.82 -1.99 -0.90 -2.36 116.97 107.39 1f05 h TYR 224 Ca 0.03 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 1f05 h TYR 224 Cb 0.07 0.12 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 1f05 h TYR 224 CO -0.05 -0.18 -0.02 0.87 -0.00 0.00 0.00 178.16 178.79 1f05 h LYS 225 N -0.23 0.48 -0.63 4.88 1.79 -1.17 0.18 116.57 121.86 1f05 h LYS 225 Ca 0.02 -0.16 0.10 0.00 -2.18 0.00 0.00 60.65 58.42 1f05 h LYS 225 Cb 0.24 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.82 1f05 h LYS 225 CO -0.06 0.66 0.42 -0.22 -1.08 0.00 0.00 179.45 179.17 1f05 h LYS 226 N 0.25 0.44 -0.38 3.15 3.64 -0.64 -1.97 116.57 121.05 1f05 h LYS 226 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1f05 h LYS 226 Cb 0.46 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1f05 h LYS 226 CO 0.02 0.29 0.00 1.19 -2.27 0.00 0.00 179.45 178.68 1f05 n PHE 227 N -4.47 1.22 -3.24 1.91 3.01 -0.90 -4.81 117.46 110.17 1f05 n PHE 227 Ca 0.10 -0.77 -0.23 0.00 1.01 0.00 0.00 57.45 57.55 1f05 n PHE 227 Cb 0.37 -0.32 0.04 0.00 -0.01 0.00 0.00 39.48 39.56 1f05 n PHE 227 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1f05 n SER 228 N 0.04 -5.94 -4.75 4.37 7.64 -0.74 -4.98 113.62 109.25 1f05 n SER 228 Ca 0.22 -0.38 -0.40 0.00 1.01 0.00 0.00 58.87 59.32 1f05 n SER 228 Cb 0.92 -4.77 -0.05 0.00 -1.01 0.00 0.00 64.21 59.29 1f05 n SER 228 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1f05 s TYR 229 N -3.20 3.89 -2.45 1.43 2.02 -0.01 -4.93 117.35 114.10 1f05 s TYR 229 Ca 0.40 1.75 0.26 0.00 -0.37 0.00 0.00 57.07 59.11 1f05 s TYR 229 Cb -0.18 -2.91 0.97 0.00 -0.40 0.00 0.00 41.96 39.44 1f05 s TYR 229 CO 0.50 0.39 1.70 1.63 -1.57 0.00 0.00 175.55 178.20 1f05 n LYS 230 N 2.00 1.69 -1.88 -0.62 5.02 -1.26 -4.64 118.16 118.46 1f05 n LYS 230 Ca -0.02 -1.00 -0.41 0.00 -2.02 0.00 0.00 58.31 54.85 1f05 n LYS 230 Cb 0.48 -1.46 -0.01 0.00 -0.02 0.00 0.00 35.03 34.02 1f05 n LYS 230 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1f05 s THR 231 N -1.95 2.29 -0.04 -0.18 2.01 -1.26 -4.93 115.64 111.58 1f05 s THR 231 Ca 0.37 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1f05 s THR 231 Cb 0.20 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1f05 s THR 231 CO 0.32 0.05 0.96 -0.63 -0.69 0.00 0.00 174.62 174.62 1f05 s ILE 232 N -0.42 4.86 -0.31 1.82 1.01 0.19 -4.94 121.20 123.41 1f05 s ILE 232 Ca 0.58 1.98 -0.17 0.00 0.00 0.00 0.00 60.65 63.04 1f05 s ILE 232 Cb -0.45 -4.29 -0.02 0.00 0.01 0.00 0.00 42.46 37.72 1f05 s ILE 232 CO 0.51 0.12 0.49 -0.69 0.00 0.00 0.00 174.94 175.37 1f05 s VAL 233 N 1.31 5.06 -0.31 2.92 1.01 -1.26 -1.28 120.40 127.85 1f05 s VAL 233 Ca 0.49 0.53 0.02 0.00 0.00 0.00 0.00 61.98 63.02 1f05 s VAL 233 Cb -0.20 -3.87 0.09 0.00 0.00 0.00 0.00 36.38 32.40 1f05 s VAL 233 CO 0.24 -0.06 0.05 -0.32 0.00 0.00 0.00 175.10 175.00 1f05 s MET 234 N 2.31 1.23 0.52 2.72 0.00 -0.68 -1.85 119.30 123.55 1f05 s MET 234 Ca 0.19 -1.41 -0.22 0.00 0.00 0.00 0.00 55.69 54.24 1f05 s MET 234 Cb -0.16 -2.64 -0.06 0.00 0.00 0.00 0.00 34.83 31.98 1f05 s MET 234 CO 0.11 -0.89 1.37 0.20 0.00 0.00 0.00 175.02 175.82 1f05 s GLY 235 N 1.26 2.89 0.20 2.11 0.00 -0.91 -3.12 107.32 109.76 1f05 s GLY 235 Ca 0.07 1.36 -0.06 0.00 0.00 0.00 0.00 44.72 46.09 1f05 s GLY 235 CO -0.14 1.90 0.25 0.00 0.00 0.00 0.00 173.10 175.11 1f05 s ALA 236 N -1.28 0.55 -0.10 3.20 0.00 0.18 -1.84 121.76 122.46 1f05 s ALA 236 Ca 0.69 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 1f05 s ALA 236 Cb -0.41 1.17 0.02 0.00 0.00 0.00 0.00 23.12 23.89 1f05 s ALA 236 CO 0.50 -0.67 0.09 0.43 0.00 0.00 0.00 175.76 176.11 1f05 n SER 237 N -0.28 -5.01 -4.40 0.00 7.64 -1.26 -0.31 113.62 110.00 1f05 n SER 237 Ca -0.01 1.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.64 1f05 n SER 237 Cb 0.64 -3.27 -0.14 0.00 -1.01 0.00 0.00 64.21 60.44 1f05 n SER 237 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1f05 s PHE 238 N -0.55 2.44 -0.13 1.43 0.08 -1.26 0.29 117.98 120.27 1f05 s PHE 238 Ca -0.10 -0.33 0.18 0.00 0.12 0.00 0.00 56.93 56.79 1f05 s PHE 238 Cb 0.01 -1.42 -0.24 0.00 -0.57 0.00 0.00 43.02 40.80 1f05 s PHE 238 CO 0.37 0.20 0.40 0.54 -0.10 0.00 0.00 175.22 176.63 1f05 n ARG 239 N 1.61 0.66 -3.98 0.44 5.12 -1.26 -4.88 116.66 114.37 1f05 n ARG 239 Ca -0.17 0.05 -0.10 0.00 -1.93 0.00 0.00 57.85 55.70 1f05 n ARG 239 Cb 0.52 -1.62 -0.04 0.00 -1.16 0.00 0.00 32.46 30.16 1f05 n ARG 239 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1f05 s ASN 240 N -5.47 0.15 0.22 0.55 2.20 -1.26 -5.05 114.94 106.29 1f05 s ASN 240 Ca -0.07 -1.07 0.25 0.00 -0.94 0.00 0.00 52.86 51.02 1f05 s ASN 240 Cb 0.08 0.65 0.54 0.00 -2.00 0.00 0.00 41.25 40.52 1f05 s ASN 240 CO 0.84 -1.27 1.56 0.71 -2.94 0.00 0.00 177.10 176.00 1f05 h THR 241 N 2.17 0.00 -0.65 0.54 1.35 -1.95 -3.26 112.91 111.11 1f05 h THR 241 Ca -0.27 -0.61 -0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1f05 h THR 241 Cb 1.25 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 69.09 1f05 h THR 241 CO 0.36 0.00 0.27 1.23 -0.25 0.00 0.00 175.52 177.13 1f05 h GLY 242 N 4.39 1.03 1.02 5.82 0.00 -1.99 0.58 103.07 113.93 1f05 h GLY 242 Ca 0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 1f05 h GLY 242 CO 0.00 0.52 0.44 0.83 0.00 0.00 0.00 176.54 178.33 1f05 h GLU 243 N 0.91 1.13 -0.18 4.80 5.08 -1.86 -0.48 114.58 123.98 1f05 h GLU 243 Ca 0.22 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1f05 h GLU 243 Cb 0.18 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1f05 h GLU 243 CO -0.02 0.83 0.08 0.82 -1.00 0.00 0.00 179.01 179.72 1f05 h ILE 244 N 1.13 1.15 -0.18 3.13 2.04 -1.48 -2.86 117.51 120.44 1f05 h ILE 244 Ca 0.29 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1f05 h ILE 244 Cb 0.03 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1f05 h ILE 244 CO -0.05 0.14 -0.16 0.11 0.00 0.00 0.00 178.15 178.19 1f05 h LYS 245 N 0.15 0.30 0.00 2.37 1.57 -0.61 -1.31 116.57 119.04 1f05 h LYS 245 Ca 0.06 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1f05 h LYS 245 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1f05 h LYS 245 CO -0.01 0.46 0.00 0.00 -0.57 0.00 0.00 179.45 179.34 1f05 n ALA 246 N -2.48 2.06 0.01 3.86 0.00 -0.21 -2.27 120.51 121.47 1f05 n ALA 246 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.35 1f05 n ALA 246 Cb 0.31 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1f05 n ALA 246 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1f05 n LEU 247 N -1.25 1.94 -4.64 0.00 4.77 -0.52 -4.82 117.00 112.48 1f05 n LEU 247 Ca 0.10 -1.68 -0.47 0.00 -0.03 0.00 0.00 56.01 53.92 1f05 n LEU 247 Cb 0.14 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1f05 n LEU 247 CO 0.14 0.47 1.05 0.00 -1.33 0.00 0.00 177.39 177.73 1f05 n ALA 248 N -0.10 0.59 0.00 -1.18 0.00 -0.96 -1.12 120.51 117.74 1f05 n ALA 248 Ca 0.03 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1f05 n ALA 248 Cb 0.23 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.43 1f05 n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1f05 n GLY 249 N 2.87 2.30 3.73 0.00 0.00 -1.25 -0.62 105.19 112.22 1f05 n GLY 249 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1f05 n GLY 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f05 h ASP 251 N 0.08 -1.50 -4.61 0.00 3.32 -1.86 -3.39 116.42 108.46 1f05 h ASP 251 Ca -0.49 0.17 -0.24 0.00 0.02 0.00 0.00 57.03 56.50 1f05 h ASP 251 Cb 1.30 0.57 -0.16 0.00 0.22 0.00 0.00 39.33 41.26 1f05 h ASP 251 CO 0.52 -0.51 -0.70 -0.36 -1.72 0.00 0.00 179.24 176.46 1f05 s PHE 252 N -5.81 0.87 -0.17 4.55 0.40 -0.77 -1.30 117.98 115.75 1f05 s PHE 252 Ca -0.16 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.28 1f05 s PHE 252 Cb 0.07 -0.50 0.08 0.00 0.51 0.00 0.00 43.02 43.18 1f05 s PHE 252 CO 0.62 -0.13 0.28 -0.51 0.70 0.00 0.00 175.22 176.18 1f05 s LEU 253 N -2.81 -0.33 -0.24 -0.37 1.43 -0.88 -2.14 118.68 113.34 1f05 s LEU 253 Ca 0.09 0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 53.36 1f05 s LEU 253 Cb 0.03 0.73 -0.03 0.00 0.03 0.00 0.00 46.19 46.94 1f05 s LEU 253 CO -0.04 -0.27 0.47 0.28 0.23 0.00 0.00 176.35 177.02 1f05 s THR 254 N 2.43 5.12 0.10 5.49 -1.32 -0.77 -1.29 115.64 125.41 1f05 s THR 254 Ca 0.04 0.80 0.10 0.00 -1.21 0.00 0.00 61.69 61.43 1f05 s THR 254 Cb -0.14 -3.79 -0.04 0.00 -1.51 0.00 0.00 72.50 67.03 1f05 s THR 254 CO -0.11 0.15 -0.25 -0.63 -2.21 0.00 0.00 174.62 171.57 1f05 s ILE 255 N 1.92 2.33 0.76 5.08 1.01 0.83 -4.30 121.20 128.83 1f05 s ILE 255 Ca 0.20 -1.60 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 1f05 s ILE 255 Cb -0.15 -2.01 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1f05 s ILE 255 CO 0.09 0.17 1.09 -0.94 0.00 0.00 0.00 174.94 175.36 1f05 s SER 256 N -1.83 4.56 0.28 3.58 1.04 -1.26 -0.56 113.70 119.50 1f05 s SER 256 Ca 0.14 1.84 -0.03 0.00 0.48 0.00 0.00 55.95 58.38 1f05 s SER 256 Cb -0.10 -2.52 0.38 0.00 0.10 0.00 0.00 66.02 63.88 1f05 s SER 256 CO 0.05 -2.00 1.95 -0.65 0.98 0.00 0.00 173.24 173.57 1f05 h PRO 257 N -1.02 1.15 -0.08 4.02 0.11 -1.97 -0.69 132.00 133.52 1f05 h PRO 257 Ca -0.44 -0.08 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1f05 h PRO 257 Cb 1.23 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1f05 h PRO 257 CO 0.52 0.77 -0.04 -0.22 -0.21 0.00 0.00 178.00 178.82 1f05 h LYS 258 N 1.18 -0.04 -0.03 1.05 3.64 -1.96 0.08 116.57 120.50 1f05 h LYS 258 Ca 0.32 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.53 1f05 h LYS 258 Cb -0.11 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1f05 h LYS 258 CO -0.07 -0.03 -0.72 -0.07 -2.27 0.00 0.00 179.45 176.30 1f05 h LEU 259 N -0.04 0.20 -0.49 5.20 3.38 -1.88 -2.54 115.31 119.14 1f05 h LEU 259 Ca 0.05 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1f05 h LEU 259 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1f05 h LEU 259 CO -0.10 0.85 0.30 -0.07 0.09 0.00 0.00 178.44 179.50 1f05 h LEU 260 N 0.11 0.50 -1.16 1.67 3.38 -0.85 0.13 115.31 119.08 1f05 h LEU 260 Ca -0.02 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1f05 h LEU 260 Cb 1.27 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1f05 h LEU 260 CO 0.11 0.35 0.58 1.23 0.09 0.00 0.00 178.44 180.80 1f05 h GLY 261 N 0.60 1.27 1.34 0.83 0.00 -0.76 -0.26 103.07 106.09 1f05 h GLY 261 Ca 0.19 -0.42 -0.14 0.00 0.00 0.00 0.00 47.33 46.96 1f05 h GLY 261 CO -0.07 0.33 -0.38 0.83 0.00 0.00 0.00 176.54 177.25 1f05 h GLU 262 N 1.05 0.73 0.00 4.80 5.08 -0.87 -2.47 114.58 122.90 1f05 h GLU 262 Ca 0.37 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1f05 h GLU 262 Cb 0.12 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1f05 h GLU 262 CO -0.12 0.98 -0.18 -0.07 -1.00 0.00 0.00 179.01 178.62 1f05 h LEU 263 N 0.60 0.00 0.00 1.33 3.38 -0.01 -2.27 115.31 118.33 1f05 h LEU 263 Ca 0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1f05 h LEU 263 Cb 0.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1f05 h LEU 263 CO 0.08 0.18 -0.47 0.25 0.09 0.00 0.00 178.44 178.58 1f05 h LEU 264 N 0.00 0.00 0.15 1.67 5.85 -0.81 0.27 115.31 122.44 1f05 h LEU 264 Ca -0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 1f05 h LEU 264 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1f05 h LEU 264 CO 0.02 0.25 -1.70 1.56 -0.34 0.00 0.00 178.44 178.23 1f05 h GLN 265 N 0.00 0.32 -6.50 1.25 1.08 -0.96 -3.45 115.11 106.86 1f05 h GLN 265 Ca -0.02 -0.55 -0.50 0.00 -1.45 0.00 0.00 58.65 56.14 1f05 h GLN 265 Cb 1.20 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.84 1f05 h GLN 265 CO 0.03 1.21 -0.18 0.16 -0.95 0.00 0.00 178.83 179.10 1f05 s ASP 266 N -7.12 6.35 -0.12 1.46 -4.77 -0.99 -4.98 116.67 106.50 1f05 s ASP 266 Ca -0.14 0.55 0.23 0.00 -3.30 0.00 0.00 52.55 49.89 1f05 s ASP 266 Cb 0.06 -2.08 0.46 0.00 -1.09 0.00 0.00 42.92 40.27 1f05 s ASP 266 CO 0.85 -0.25 1.15 -0.46 0.70 0.00 0.00 175.17 177.16 1f05 n ASN 267 N -1.41 1.48 -4.70 2.11 0.23 -1.26 -0.86 115.26 110.84 1f05 n ASN 267 Ca -0.04 -2.27 -0.30 0.00 -0.53 0.00 0.00 54.58 51.44 1f05 n ASN 267 Cb 0.55 -0.38 0.14 0.00 -2.08 0.00 0.00 39.78 38.01 1f05 n ASN 267 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1f05 s ALA 268 N -1.78 1.53 -0.01 -2.53 0.00 -1.26 -4.82 121.76 112.90 1f05 s ALA 268 Ca 0.33 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.20 1f05 s ALA 268 Cb 0.37 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 20.14 1f05 s ALA 268 CO -0.11 -2.44 1.44 0.21 0.00 0.00 0.00 175.76 174.86 1f05 s LYS 269 N -4.80 4.26 -0.21 0.00 2.47 -1.26 -4.69 119.74 115.52 1f05 s LYS 269 Ca 0.64 2.00 -0.10 0.00 -1.56 0.00 0.00 55.97 56.96 1f05 s LYS 269 Cb -0.20 -3.62 -0.05 0.00 -1.46 0.00 0.00 37.83 32.50 1f05 s LYS 269 CO 0.58 -0.62 0.13 -1.17 0.16 0.00 0.00 175.35 174.43 1f05 s LEU 270 N 2.62 4.15 -0.15 5.43 2.96 -1.26 -5.09 118.68 127.34 1f05 s LEU 270 Ca 0.65 0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1f05 s LEU 270 Cb -0.32 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 1f05 s LEU 270 CO 0.27 0.15 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.73 1f05 s VAL 271 N 0.52 4.01 0.51 1.68 1.01 -1.26 -5.03 120.40 121.84 1f05 s VAL 271 Ca 0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1f05 s VAL 271 Cb -0.12 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 1f05 s VAL 271 CO -0.00 0.50 1.29 -2.84 0.00 0.00 0.00 175.10 174.05 1f05 s PRO 272 N 0.22 3.38 0.00 2.72 0.02 -1.26 -4.78 135.00 135.30 1f05 s PRO 272 Ca -0.02 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.08 1f05 s PRO 272 Cb -0.14 -2.33 0.00 0.00 0.02 0.00 0.00 34.50 32.06 1f05 s PRO 272 CO 0.03 -0.95 0.00 0.28 -0.33 0.00 0.00 177.00 176.03 1f05 n VAL 273 N -0.80 0.00 -4.02 3.83 0.31 0.21 -5.00 118.33 112.85 1f05 n VAL 273 Ca 0.09 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.08 1f05 n VAL 273 Cb 0.46 -0.52 -0.06 0.00 -0.91 0.00 0.00 33.84 32.80 1f05 n VAL 273 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1f05 s LEU 274 N -4.79 4.12 -0.24 7.52 1.43 -0.59 -5.03 118.68 121.10 1f05 s LEU 274 Ca 0.00 0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 53.18 1f05 s LEU 274 Cb 0.00 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 44.04 1f05 s LEU 274 CO 0.00 0.32 0.63 -0.94 0.23 0.00 0.00 176.35 176.59 1f05 s SER 275 N -1.47 -0.68 0.16 2.29 1.04 -1.26 -4.39 113.70 109.38 1f05 s SER 275 Ca 0.20 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.76 1f05 s SER 275 Cb -0.12 1.27 0.06 0.00 0.10 0.00 0.00 66.02 67.33 1f05 s SER 275 CO 0.11 -0.22 1.80 0.00 0.98 0.00 0.00 173.24 175.91 1f05 h ALA 276 N 5.45 0.55 -0.99 5.32 0.00 -1.95 -1.32 119.26 126.31 1f05 h ALA 276 Ca -0.29 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1f05 h ALA 276 Cb 1.17 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1f05 h ALA 276 CO 0.12 -0.07 0.64 0.87 0.00 0.00 0.00 179.25 180.81 1f05 h LYS 277 N 0.51 1.14 -0.51 0.00 1.79 -1.96 0.15 116.57 117.68 1f05 h LYS 277 Ca 0.17 -0.07 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1f05 h LYS 277 Cb 0.02 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.39 1f05 h LYS 277 CO -0.08 0.75 0.13 0.00 -1.08 0.00 0.00 179.45 179.17 1f05 h ALA 278 N 1.46 0.68 -0.08 3.86 0.00 -1.81 -2.44 119.26 120.93 1f05 h ALA 278 Ca 0.42 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1f05 h ALA 278 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1f05 h ALA 278 CO -0.16 0.37 0.05 0.00 0.00 0.00 0.00 179.25 179.51 1f05 h ALA 279 N 1.00 0.10 -0.76 0.00 0.00 -0.14 -2.56 119.26 116.90 1f05 h ALA 279 Ca 0.16 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.19 1f05 h ALA 279 Cb 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1f05 h ALA 279 CO 0.00 -0.41 0.50 1.96 0.00 0.00 0.00 179.25 181.31 1f05 h GLN 280 N 0.10 0.51 -1.95 0.00 4.20 -0.60 -1.85 115.11 115.54 1f05 h GLN 280 Ca 0.03 -0.03 -0.69 0.00 0.06 0.00 0.00 58.65 58.02 1f05 h GLN 280 Cb -0.01 -0.12 -0.25 0.00 0.30 0.00 0.00 27.48 27.41 1f05 h GLN 280 CO -0.01 0.34 0.88 0.00 -0.67 0.00 0.00 178.83 179.37 1f05 n ALA 281 N -2.49 6.48 -2.42 3.87 0.00 -0.93 -4.93 120.51 120.09 1f05 n ALA 281 Ca 0.14 -3.78 -0.22 0.00 0.00 0.00 0.00 53.44 49.58 1f05 n ALA 281 Cb 0.45 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.79 1f05 n ALA 281 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1f05 s SER 282 N -0.73 2.16 -0.45 0.00 1.04 -0.69 -4.97 113.70 110.06 1f05 s SER 282 Ca 0.54 -1.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.30 1f05 s SER 282 Cb 0.43 0.37 0.11 0.00 0.10 0.00 0.00 66.02 67.02 1f05 s SER 282 CO -0.34 -0.87 0.30 -0.62 0.98 0.00 0.00 173.24 172.69 1f05 s ASP 283 N -3.48 5.64 -0.15 7.02 2.15 -1.26 -5.03 116.67 121.55 1f05 s ASP 283 Ca 0.31 -1.79 -0.12 0.00 0.43 0.00 0.00 52.55 51.38 1f05 s ASP 283 Cb 0.05 -1.99 0.05 0.00 -0.30 0.00 0.00 42.92 40.72 1f05 s ASP 283 CO 0.16 -0.63 0.39 -0.76 -0.17 0.00 0.00 175.17 174.16 1f05 s LEU 284 N 1.36 0.29 -0.07 -1.34 1.43 -1.26 -5.15 118.68 113.94 1f05 s LEU 284 Ca 0.05 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 1f05 s LEU 284 Cb -0.25 1.32 -0.05 0.00 0.03 0.00 0.00 46.19 47.24 1f05 s LEU 284 CO -0.00 -0.16 0.29 -1.61 0.23 0.00 0.00 176.35 175.10 1f05 s GLU 285 N 0.68 3.80 0.38 1.70 2.02 -1.26 -5.06 118.70 120.96 1f05 s GLU 285 Ca -0.04 0.15 -0.26 0.00 0.02 0.00 0.00 54.97 54.85 1f05 s GLU 285 Cb -0.05 -3.25 -0.09 0.00 0.10 0.00 0.00 34.13 30.85 1f05 s GLU 285 CO -0.05 0.64 1.17 0.21 0.02 0.00 0.00 175.26 177.26 1f05 s LYS 286 N -0.78 4.14 0.03 1.61 2.20 -1.26 -5.04 119.74 120.64 1f05 s LYS 286 Ca 0.19 1.86 -0.01 0.00 -0.36 0.00 0.00 55.97 57.65 1f05 s LYS 286 Cb -0.14 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1f05 s LYS 286 CO 0.08 -0.25 -0.01 0.96 -0.36 0.00 0.00 175.35 175.77 1f05 s ILE 287 N -1.37 0.15 -0.04 5.43 -4.36 -1.26 -5.16 121.20 114.59 1f05 s ILE 287 Ca 0.55 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.72 1f05 s ILE 287 Cb -0.31 -0.83 -0.02 0.00 1.25 0.00 0.00 42.46 42.55 1f05 s ILE 287 CO 0.40 -0.70 -0.18 -2.28 0.24 0.00 0.00 174.94 172.42 1f05 s HIS 288 N -2.55 2.60 -0.10 1.37 5.65 -1.26 -5.07 115.29 115.93 1f05 s HIS 288 Ca -0.06 -0.25 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1f05 s HIS 288 Cb -0.02 -1.60 0.02 0.00 -1.18 0.00 0.00 32.58 29.81 1f05 s HIS 288 CO -0.05 0.12 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.56 1f05 s LEU 289 N -0.68 1.34 0.00 8.88 1.43 -1.26 -4.98 118.68 123.41 1f05 s LEU 289 Ca 0.11 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1f05 s LEU 289 Cb -0.11 -0.85 0.05 0.00 0.03 0.00 0.00 46.19 45.31 1f05 s LEU 289 CO 0.00 -0.07 0.37 -0.90 0.23 0.00 0.00 176.35 175.98 1f05 n ASP 290 N 4.62 0.62 -0.12 2.29 5.68 -1.26 -4.81 116.55 123.57 1f05 n ASP 290 Ca -0.16 -1.50 -0.07 0.00 -0.50 0.00 0.00 54.79 52.57 1f05 n ASP 290 Cb 0.50 -0.23 0.01 0.00 -1.14 0.00 0.00 41.12 40.27 1f05 n ASP 290 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1f05 h GLU 291 N 0.00 0.39 0.25 0.11 4.81 -2.00 -1.10 114.58 117.04 1f05 h GLU 291 Ca -0.12 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1f05 h GLU 291 Cb 0.48 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1f05 h GLU 291 CO 0.14 0.26 -0.34 0.87 -0.73 0.00 0.00 179.01 179.21 1f05 h LYS 292 N 0.40 -0.63 -0.81 1.92 1.57 -1.99 -0.35 116.57 116.68 1f05 h LYS 292 Ca 0.16 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1f05 h LYS 292 Cb 0.06 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1f05 h LYS 292 CO -0.11 -0.42 0.51 0.77 -0.57 0.00 0.00 179.45 179.64 1f05 h SER 293 N -0.65 0.95 0.46 0.86 0.02 -1.92 -1.84 113.55 111.43 1f05 h SER 293 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1f05 h SER 293 Cb 0.62 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1f05 h SER 293 CO -0.12 0.71 -0.36 0.15 -1.14 0.00 0.00 176.83 176.07 1f05 h PHE 294 N 1.10 -0.96 -0.28 3.45 3.57 -0.82 0.17 116.94 123.17 1f05 h PHE 294 Ca 0.29 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1f05 h PHE 294 Cb -0.08 0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1f05 h PHE 294 CO -0.01 -0.52 0.19 0.00 -2.23 0.00 0.00 178.31 175.73 1f05 h ARG 295 N -0.81 0.32 0.10 1.11 3.08 -0.91 0.15 114.38 117.42 1f05 h ARG 295 Ca -0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1f05 h ARG 295 Cb 0.69 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1f05 h ARG 295 CO -0.00 0.21 -0.05 2.35 -1.07 0.00 0.00 179.97 181.41 1f05 h TRP 296 N 0.33 -0.12 -0.66 3.04 2.91 -1.00 -1.66 115.95 118.78 1f05 h TRP 296 Ca 0.11 -0.00 0.06 0.00 1.13 0.00 0.00 58.89 60.19 1f05 h TRP 296 Cb 0.04 0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.69 1f05 h TRP 296 CO -0.00 0.40 0.44 1.25 -1.03 0.00 0.00 178.44 179.50 1f05 h LEU 297 N -0.82 0.59 -0.23 0.65 5.85 -0.33 -1.57 115.31 119.45 1f05 h LEU 297 Ca -0.01 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.62 1f05 h LEU 297 Cb 0.58 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1f05 h LEU 297 CO 0.02 0.38 -0.20 -0.74 -0.34 0.00 0.00 178.44 177.56 1f05 h HIS 298 N 0.67 0.64 0.00 1.25 2.76 -0.75 -3.06 115.15 116.66 1f05 h HIS 298 Ca 0.29 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1f05 h HIS 298 Cb 0.27 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 1f05 h HIS 298 CO -0.00 0.87 -0.06 -0.97 -1.30 0.00 0.00 177.93 176.46 1f05 h ASN 299 N 0.24 0.00 0.59 3.26 -0.73 -0.36 -0.12 115.58 118.46 1f05 h ASN 299 Ca 0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.21 1f05 h ASN 299 Cb 0.75 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1f05 h ASN 299 CO 0.05 0.06 0.00 -0.62 -0.37 0.00 0.00 177.43 176.56 1f05 n GLU 300 N -3.92 0.18 -3.47 6.67 -0.58 -0.74 -4.14 120.64 114.64 1f05 n GLU 300 Ca -0.03 0.46 -0.43 0.00 -0.42 0.00 0.00 57.16 56.75 1f05 n GLU 300 Cb 0.15 -1.88 -0.05 0.00 -0.57 0.00 0.00 31.44 29.09 1f05 n GLU 300 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1f05 s ASP 301 N -4.19 6.13 0.14 1.62 -1.08 -0.06 -4.95 116.67 114.28 1f05 s ASP 301 Ca 0.03 -2.55 -0.19 0.00 -0.52 0.00 0.00 52.55 49.33 1f05 s ASP 301 Cb 0.09 -2.08 0.02 0.00 -1.46 0.00 0.00 42.92 39.48 1f05 s ASP 301 CO 0.35 -0.56 1.70 -0.61 0.52 0.00 0.00 175.17 176.58 1f05 h GLN 302 N 7.76 0.05 -0.44 4.34 4.15 -1.81 -0.18 115.11 128.97 1f05 h GLN 302 Ca -0.01 -0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.49 1f05 h GLN 302 Cb 1.02 -0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 1f05 h GLN 302 CO 0.78 0.03 -0.01 1.98 -1.93 0.00 0.00 178.83 179.68 1f05 h MET 303 N 0.05 0.10 -0.62 1.69 4.05 -1.95 0.03 114.93 118.27 1f05 h MET 303 Ca 0.13 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 1f05 h MET 303 Cb 0.18 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1f05 h MET 303 CO -0.24 0.06 0.22 0.00 0.23 0.00 0.00 176.91 177.18 1f05 h ALA 304 N 1.40 0.81 -0.45 0.39 0.00 -1.72 0.15 119.26 119.83 1f05 h ALA 304 Ca 0.22 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1f05 h ALA 304 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1f05 h ALA 304 CO -0.38 0.46 0.28 0.28 0.00 0.00 0.00 179.25 179.89 1f05 h VAL 305 N 0.88 1.14 -0.04 0.00 2.07 -0.29 -0.45 116.25 119.56 1f05 h VAL 305 Ca 0.20 -0.31 -0.22 0.00 0.82 0.00 0.00 66.70 67.19 1f05 h VAL 305 Cb 0.25 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1f05 h VAL 305 CO -0.01 0.14 -0.88 -0.33 0.02 0.00 0.00 177.57 176.51 1f05 h GLU 306 N 0.60 0.51 -0.03 1.57 5.08 -0.75 -2.54 114.58 119.01 1f05 h GLU 306 Ca 0.16 -0.49 -0.26 0.00 -1.00 0.00 0.00 59.36 57.77 1f05 h GLU 306 Cb -0.01 0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1f05 h GLU 306 CO -0.03 1.13 -0.99 0.87 -1.00 0.00 0.00 179.01 178.98 1f05 h LYS 307 N 0.31 0.73 -0.16 2.33 1.79 -0.65 -0.78 116.57 120.14 1f05 h LYS 307 Ca -0.07 -0.74 -0.00 0.00 -2.18 0.00 0.00 60.65 57.66 1f05 h LYS 307 Cb 1.50 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 32.35 1f05 h LYS 307 CO 0.16 1.32 0.09 1.25 -1.08 0.00 0.00 179.45 181.18 1f05 h LEU 308 N 0.43 0.20 -0.16 2.94 5.85 -1.17 0.29 115.31 123.69 1f05 h LEU 308 Ca -0.12 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1f05 h LEU 308 Cb 1.64 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1f05 h LEU 308 CO 0.20 0.22 0.05 -1.28 -0.34 0.00 0.00 178.44 177.29 1f05 h SER 309 N 0.16 0.06 0.28 1.25 0.87 -1.44 -1.46 113.55 113.26 1f05 h SER 309 Ca 0.06 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1f05 h SER 309 Cb 0.07 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1f05 h SER 309 CO -0.01 0.06 -0.46 -0.78 -0.53 0.00 0.00 176.83 175.11 1f05 h ASP 310 N 0.13 0.24 -0.88 6.23 3.58 -1.06 -2.70 116.42 121.96 1f05 h ASP 310 Ca 0.07 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1f05 h ASP 310 Cb 0.04 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1f05 h ASP 310 CO -0.07 0.67 0.53 1.23 -2.88 0.00 0.00 179.24 178.72 1f05 h GLY 311 N 1.29 1.27 0.87 -0.78 0.00 0.10 -0.43 103.07 105.40 1f05 h GLY 311 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 1f05 h GLY 311 CO 0.07 0.51 -0.04 -2.22 0.00 0.00 0.00 176.54 174.86 1f05 h ILE 312 N 1.21 1.27 -0.45 2.60 2.04 -1.12 -2.31 117.51 120.74 1f05 h ILE 312 Ca 0.32 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1f05 h ILE 312 Cb -0.05 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1f05 h ILE 312 CO -0.06 0.33 0.24 0.03 0.00 0.00 0.00 178.15 178.69 1f05 h ARG 313 N 0.29 0.64 -0.19 2.37 3.08 -1.18 -1.08 114.38 118.30 1f05 h ARG 313 Ca 0.07 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1f05 h ARG 313 Cb 0.50 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1f05 h ARG 313 CO 0.02 0.52 0.12 0.87 -1.07 0.00 0.00 179.97 180.42 1f05 h LYS 314 N 0.60 0.27 -0.31 0.04 1.57 -1.05 -0.42 116.57 117.26 1f05 h LYS 314 Ca 0.16 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1f05 h LYS 314 Cb 0.07 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1f05 h LYS 314 CO -0.02 0.23 0.18 0.74 -0.57 0.00 0.00 179.45 180.00 1f05 h PHE 315 N 0.23 0.42 -0.85 -1.35 0.04 -1.33 -0.30 116.94 113.79 1f05 h PHE 315 Ca 0.07 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.94 1f05 h PHE 315 Cb 0.03 -0.14 -0.08 0.00 2.20 0.00 0.00 35.95 37.97 1f05 h PHE 315 CO -0.05 0.33 0.49 0.00 -0.60 0.00 0.00 178.31 178.48 1f05 h ALA 316 N 1.05 1.24 -0.42 2.45 0.00 -1.03 0.77 119.26 123.32 1f05 h ALA 316 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1f05 h ALA 316 Cb 0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1f05 h ALA 316 CO -0.02 0.08 0.12 0.00 0.00 0.00 0.00 179.25 179.43 1f05 h ALA 317 N 1.48 0.55 -0.66 0.00 0.00 -0.47 0.17 119.26 120.32 1f05 h ALA 317 Ca 0.42 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1f05 h ALA 317 Cb 0.43 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1f05 h ALA 317 CO -0.27 0.21 0.44 -0.44 0.00 0.00 0.00 179.25 179.18 1f05 h ASP 318 N 0.53 0.75 -0.44 0.00 3.32 -0.01 0.11 116.42 120.68 1f05 h ASP 318 Ca 0.13 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 1f05 h ASP 318 Cb 0.28 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1f05 h ASP 318 CO -0.00 0.54 -0.19 0.00 -1.72 0.00 0.00 179.24 177.86 1f05 h ALA 319 N 1.59 0.61 -0.70 3.45 0.00 -0.02 -1.25 119.26 122.95 1f05 h ALA 319 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1f05 h ALA 319 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1f05 h ALA 319 CO -0.06 0.58 0.14 0.28 0.00 0.00 0.00 179.25 180.19 1f05 h VAL 320 N 0.73 1.26 -0.28 0.00 2.07 0.24 -1.09 116.25 119.18 1f05 h VAL 320 Ca 0.10 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.50 1f05 h VAL 320 Cb 0.76 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1f05 h VAL 320 CO 0.06 0.39 -0.29 0.50 0.02 0.00 0.00 177.57 178.25 1f05 h LYS 321 N 1.07 0.58 -0.33 1.57 3.64 -0.68 -1.86 116.57 120.56 1f05 h LYS 321 Ca 0.22 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.19 1f05 h LYS 321 Cb 0.41 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1f05 h LYS 321 CO 0.01 0.81 -0.45 1.25 -2.27 0.00 0.00 179.45 178.79 1f05 h LEU 322 N 0.50 0.93 0.36 5.20 5.85 -0.96 -2.44 115.31 124.75 1f05 h LEU 322 Ca 0.06 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1f05 h LEU 322 Cb 0.75 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1f05 h LEU 322 CO 0.06 1.23 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.89 1f05 h GLU 323 N 0.68 -0.47 -0.05 1.25 5.08 -0.98 -2.41 114.58 117.68 1f05 h GLU 323 Ca 0.04 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1f05 h GLU 323 Cb 1.04 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.33 1f05 h GLU 323 CO 0.10 -0.27 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.31 1f05 h ARG 324 N -0.56 -0.55 -0.89 2.33 2.43 -1.36 0.80 114.38 116.59 1f05 h ARG 324 Ca -0.05 0.04 0.18 0.00 -0.81 0.00 0.00 59.98 59.33 1f05 h ARG 324 Cb 0.42 0.12 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 1f05 h ARG 324 CO 0.08 -0.36 0.58 1.98 -1.51 0.00 0.00 179.97 180.74 1f05 h MET 325 N -0.57 0.53 -0.04 0.20 1.85 -1.45 -0.67 114.93 114.78 1f05 h MET 325 Ca 0.05 -0.03 -0.18 0.00 -0.61 0.00 0.00 59.70 58.93 1f05 h MET 325 Cb 0.66 -0.12 0.01 0.00 0.43 0.00 0.00 31.60 32.58 1f05 h MET 325 CO -0.36 0.35 -0.66 -0.07 -0.40 0.00 0.00 176.91 175.77 1f05 h LEU 326 N 0.54 0.65 -0.86 3.39 3.38 -0.75 -2.57 115.31 119.10 1f05 h LEU 326 Ca 0.46 -0.71 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1f05 h LEU 326 Cb 0.95 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1f05 h LEU 326 CO -0.20 1.27 0.09 0.71 0.09 0.00 0.00 178.44 180.40 1f05 h THR 327 N 0.09 1.25 0.00 0.22 1.35 -0.29 0.12 112.91 115.65 1f05 h THR 327 Ca -0.07 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1f05 h THR 327 Cb 1.34 0.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1f05 h THR 327 CO 0.13 0.36 -0.12 -0.33 -0.25 0.00 0.00 175.52 175.31 1f05 h GLU 328 N 0.89 0.00 0.00 4.72 4.39 -1.17 0.28 114.58 123.69 1f05 h GLU 328 Ca 0.18 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.71 1f05 h GLU 328 Cb 0.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 1f05 h GLU 328 CO 0.01 0.12 -1.40 -0.09 -1.16 0.00 0.00 179.01 176.49 1f05 h ARG 329 N 0.00 0.00 -0.06 2.33 2.43 -0.70 -2.78 114.38 115.60 1f05 h ARG 329 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1f05 h ARG 329 Cb 0.32 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1f05 h ARG 329 CO 0.02 0.31 0.00 0.00 -1.51 0.00 0.00 179.97 178.78 1f05 n MET 330 N -2.91 0.89 0.00 0.20 0.00 0.27 -4.68 117.12 110.89 1f05 n MET 330 Ca -0.10 -1.13 0.00 0.00 0.00 0.00 0.00 57.70 56.48 1f05 n MET 330 Cb 0.85 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.98 1f05 n MET 330 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1f05 n PHE 331 N 0.11 0.00 -0.62 3.17 3.72 0.93 -5.04 117.46 119.73 1f05 n PHE 331 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1f05 n PHE 331 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1f05 n PHE 331 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80