#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f05 n GLU 12 N 0.00 0.00 -1.24 2.12 4.07 -1.26 -4.92 120.64 119.40 1f05 n GLU 12 Ca 0.00 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.80 1f05 n GLU 12 Cb 0.00 -0.37 0.11 0.00 -0.06 0.00 0.00 31.44 31.12 1f05 n GLU 12 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 1f05 s SER 13 N -3.01 4.09 0.31 4.31 1.04 -1.26 -4.61 113.70 114.57 1f05 s SER 13 Ca 0.00 1.68 -0.01 0.00 0.48 0.00 0.00 55.95 58.11 1f05 s SER 13 Cb 0.00 -2.38 0.49 0.00 0.10 0.00 0.00 66.02 64.23 1f05 s SER 13 CO 0.00 -2.28 1.94 0.00 0.98 0.00 0.00 173.24 173.88 1f05 h ALA 14 N -1.30 1.39 0.20 5.32 0.00 -0.38 -1.12 119.26 123.38 1f05 h ALA 14 Ca -0.46 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1f05 h ALA 14 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1f05 h ALA 14 CO 0.53 0.51 -0.10 1.25 0.00 0.00 0.00 179.25 181.44 1f05 h LEU 15 N 0.95 -0.23 -1.50 0.00 5.85 -1.19 0.54 115.31 119.73 1f05 h LEU 15 Ca 0.24 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1f05 h LEU 15 Cb 0.00 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1f05 h LEU 15 CO -0.04 -0.02 -0.20 0.44 -0.34 0.00 0.00 178.44 178.28 1f05 h ASP 16 N -0.43 0.07 -0.23 1.25 3.32 -1.81 -1.48 116.42 117.10 1f05 h ASP 16 Ca -0.03 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 1f05 h ASP 16 Cb 0.33 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1f05 h ASP 16 CO 0.05 0.27 -0.26 1.56 -1.72 0.00 0.00 179.24 179.14 1f05 h GLN 17 N 0.07 0.59 -0.47 3.56 4.20 -0.99 -2.94 115.11 119.12 1f05 h GLN 17 Ca 0.01 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.41 1f05 h GLN 17 Cb 0.40 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1f05 h GLN 17 CO 0.03 0.92 0.31 1.25 -0.67 0.00 0.00 178.83 180.67 1f05 h LEU 18 N 0.29 0.52 0.00 1.46 5.85 -0.30 -0.70 115.31 122.43 1f05 h LEU 18 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1f05 h LEU 18 Cb 0.82 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1f05 h LEU 18 CO 0.06 0.38 0.00 0.29 -0.34 0.00 0.00 178.44 178.83 1f05 n LYS 19 N -4.47 0.03 0.04 1.25 5.02 -0.61 -0.07 118.16 119.35 1f05 n LYS 19 Ca 0.04 0.32 -0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1f05 n LYS 19 Cb 0.07 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.45 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 0.07 0.00 1.97 4.20 -1.17 -3.38 115.11 116.80 1f05 h GLN 20 Ca 0.00 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 1f05 h GLN 20 Cb 0.10 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 1f05 h GLN 20 CO 0.00 0.89 -1.79 1.19 -0.67 0.00 0.00 178.83 178.44 1f05 n PHE 21 N -3.29 0.00 -3.96 2.96 0.99 -0.68 -5.02 117.46 108.46 1f05 n PHE 21 Ca -0.09 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.26 1f05 n PHE 21 Cb 1.00 -0.46 -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 -2.83 0.10 -0.28 4.37 2.01 0.90 -3.87 115.64 116.03 1f05 s THR 22 Ca -0.06 -0.80 -0.25 0.00 0.31 0.00 0.00 61.69 60.89 1f05 s THR 22 Cb 0.08 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1f05 s THR 22 CO 0.62 -0.44 0.87 -0.89 -0.69 0.00 0.00 174.62 174.09 1f05 s THR 23 N -1.30 4.75 0.08 -0.82 2.01 -0.44 -3.90 115.64 116.03 1f05 s THR 23 Ca -0.14 1.48 -0.25 0.00 0.31 0.00 0.00 61.69 63.09 1f05 s THR 23 Cb -0.09 -4.19 -0.06 0.00 0.01 0.00 0.00 72.50 68.17 1f05 s THR 23 CO -0.01 -0.22 0.76 -0.69 -0.69 0.00 0.00 174.62 173.78 1f05 s VAL 24 N 3.05 4.62 -0.00 3.82 1.01 -1.26 -1.96 120.40 129.67 1f05 s VAL 24 Ca 0.36 1.64 0.05 0.00 0.00 0.00 0.00 61.98 64.04 1f05 s VAL 24 Cb -0.14 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 1f05 s VAL 24 CO 0.10 0.42 -0.17 -0.69 0.00 0.00 0.00 175.10 174.76 1f05 s VAL 25 N -0.44 1.38 -0.20 2.92 1.01 -0.49 -1.23 120.40 123.35 1f05 s VAL 25 Ca 0.37 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 1f05 s VAL 25 Cb -0.21 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1f05 s VAL 25 CO 0.24 0.34 0.38 0.00 0.00 0.00 0.00 175.10 176.06 1f05 s ALA 26 N -0.48 3.56 -0.79 5.51 0.00 -0.87 -0.04 121.76 128.66 1f05 s ALA 26 Ca 0.06 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.32 1f05 s ALA 26 Cb -0.07 -2.61 0.17 0.00 0.00 0.00 0.00 23.12 20.61 1f05 s ALA 26 CO -0.00 -0.27 0.84 0.34 0.00 0.00 0.00 175.76 176.66 1f05 s ASP 27 N 1.01 6.57 -0.16 0.00 2.15 0.37 -0.66 116.67 125.95 1f05 s ASP 27 Ca 0.18 -2.19 -0.34 0.00 0.43 0.00 0.00 52.55 50.63 1f05 s ASP 27 Cb -0.15 -2.28 0.14 0.00 -0.30 0.00 0.00 42.92 40.33 1f05 s ASP 27 CO 0.08 -0.84 1.25 0.28 -0.17 0.00 0.00 175.17 175.77 1f05 s THR 28 N 1.47 0.00 -0.33 1.71 -1.32 -0.41 -4.37 115.64 112.40 1f05 s THR 28 Ca 0.20 -0.06 0.14 0.00 -1.21 0.00 0.00 61.69 60.76 1f05 s THR 28 Cb -0.13 -1.26 -0.19 0.00 -1.51 0.00 0.00 72.50 69.41 1f05 s THR 28 CO -0.05 0.00 0.45 0.61 -2.21 0.00 0.00 174.62 173.42 1f05 n GLY 29 N -0.19 -0.50 3.26 6.08 0.00 -1.26 -4.53 105.19 108.05 1f05 n GLY 29 Ca -0.01 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.68 4.48 0.00 1.61 2.03 -1.26 -4.81 116.55 116.92 1f05 n ASP 30 Ca -0.00 -2.88 0.04 0.00 0.52 0.00 0.00 54.79 52.46 1f05 n ASP 30 Cb 0.30 -1.71 0.18 0.00 -0.72 0.00 0.00 41.12 39.17 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 7.63 0.00 0.10 -0.67 1.16 -1.26 -2.33 117.46 122.09 1f05 n PHE 31 Ca 0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 56.05 1f05 n PHE 31 Cb 0.43 -0.33 0.03 0.00 -1.61 0.00 0.00 39.48 38.01 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 0.00 -0.04 2.97 3.86 -1.99 -3.07 115.15 116.88 1f05 h HIS 32 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1f05 h HIS 32 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1f05 h HIS 32 CO 0.00 0.78 0.00 0.00 0.86 0.00 0.00 177.93 179.57 1f05 n ALA 33 N -2.37 2.58 -0.42 2.45 0.00 -0.99 -4.55 120.51 117.20 1f05 n ALA 33 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1f05 n ALA 33 Cb 0.77 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 0.03 0.00 0.32 0.00 5.41 -1.16 -3.93 119.36 120.03 1f05 n ILE 34 Ca 0.19 0.90 0.03 0.00 1.00 0.00 0.00 62.75 64.87 1f05 n ILE 34 Cb 0.31 -1.73 0.15 0.00 -0.71 0.00 0.00 39.64 37.66 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 0.14 4.38 2.03 -1.80 0.22 116.42 121.39 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 -0.07 -0.08 -1.03 0.00 0.00 179.24 178.06 1f05 h GLU 36 N 0.00 0.00 -0.02 4.15 4.81 -1.86 -2.49 114.58 119.17 1f05 h GLU 36 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1f05 h GLU 36 Cb 1.80 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.18 1f05 h GLU 36 CO -0.00 0.07 -0.18 0.66 -0.73 0.00 0.00 179.01 178.83 1f05 n TYR 37 N -3.96 0.00 -3.88 0.92 4.01 0.78 -5.03 117.16 110.00 1f05 n TYR 37 Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 1f05 n TYR 37 Cb 0.16 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.39 -0.71 -1.73 -0.72 4.76 -0.94 -4.96 118.16 114.24 1f05 n LYS 38 Ca 0.08 0.26 -0.29 0.00 -2.87 0.00 0.00 58.31 55.49 1f05 n LYS 38 Cb 0.38 -3.31 0.09 0.00 -1.84 0.00 0.00 35.03 30.35 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 -6.72 2.03 -0.16 1.97 0.02 -1.26 -5.01 135.00 125.87 1f05 s PRO 39 Ca 0.49 0.37 -0.18 0.00 0.02 0.00 0.00 61.00 61.70 1f05 s PRO 39 Cb -0.22 -1.94 -0.15 0.00 0.02 0.00 0.00 34.50 32.21 1f05 s PRO 39 CO 0.92 -1.60 0.24 0.37 -0.33 0.00 0.00 177.00 176.60 1f05 h GLN 40 N -1.06 0.00 -5.30 5.54 5.75 -1.54 -3.40 115.11 115.10 1f05 h GLN 40 Ca -0.47 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.36 1f05 h GLN 40 Cb 1.30 0.00 -0.13 0.00 1.07 0.00 0.00 27.48 29.72 1f05 h GLN 40 CO 0.63 0.65 -0.52 -0.51 -2.65 0.00 0.00 178.83 176.43 1f05 s ASP 41 N -6.28 4.12 0.04 -0.69 1.11 -1.25 -0.34 116.67 113.38 1f05 s ASP 41 Ca -0.19 -1.59 -0.02 0.00 0.18 0.00 0.00 52.55 50.92 1f05 s ASP 41 Cb 0.02 0.38 -0.02 0.00 1.07 0.00 0.00 42.92 44.37 1f05 s ASP 41 CO 0.46 -0.80 0.02 0.00 1.18 0.00 0.00 175.17 176.02 1f05 s ALA 42 N -2.85 0.17 0.05 5.23 0.00 -0.09 -2.04 121.76 122.23 1f05 s ALA 42 Ca 0.11 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.35 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 -0.28 -0.11 0.95 0.00 0.00 0.00 175.76 176.38 1f05 s THR 43 N -2.63 0.83 0.05 0.00 -4.23 0.16 -1.88 115.64 107.94 1f05 s THR 43 Ca -0.05 -1.15 -0.02 0.00 -1.18 0.00 0.00 61.69 59.29 1f05 s THR 43 Cb -0.01 -0.83 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 1f05 s THR 43 CO -0.05 -0.27 0.01 0.42 -0.54 0.00 0.00 174.62 174.19 1f05 s THR 44 N -1.26 0.19 0.27 3.99 -4.23 -1.07 -1.29 115.64 112.25 1f05 s THR 44 Ca -0.05 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1f05 s THR 44 Cb -0.10 -1.33 -0.01 0.00 1.34 0.00 0.00 72.50 72.40 1f05 s THR 44 CO 0.01 -0.88 0.40 0.54 -0.54 0.00 0.00 174.62 174.15 1f05 s ASN 45 N -2.71 0.32 0.32 3.99 2.20 -1.26 -4.39 114.94 113.40 1f05 s ASN 45 Ca 0.04 -1.23 0.06 0.00 -0.94 0.00 0.00 52.86 50.79 1f05 s ASN 45 Cb 0.05 0.56 0.73 0.00 -2.00 0.00 0.00 41.25 40.60 1f05 s ASN 45 CO -0.09 -1.12 1.82 -0.65 -2.94 0.00 0.00 177.10 174.12 1f05 h PRO 46 N 2.29 0.77 -0.20 3.55 0.11 -1.91 -1.35 132.00 135.26 1f05 h PRO 46 Ca -0.29 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.66 1f05 h PRO 46 Cb 1.25 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1f05 h PRO 46 CO 0.40 0.51 -0.36 1.03 -0.21 0.00 0.00 178.00 179.37 1f05 h SER 47 N 0.79 0.44 0.00 -2.05 0.87 -1.93 -2.46 113.55 109.22 1f05 h SER 47 Ca 0.52 -0.18 -0.22 0.00 -1.23 0.00 0.00 61.79 60.69 1f05 h SER 47 Cb 0.77 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 62.63 1f05 h SER 47 CO -0.29 0.77 -0.86 -0.07 -0.53 0.00 0.00 176.83 175.85 1f05 h LEU 48 N 0.36 0.75 -0.57 2.23 3.38 -1.68 -2.58 115.31 117.20 1f05 h LEU 48 Ca 0.04 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 1f05 h LEU 48 Cb 0.80 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1f05 h LEU 48 CO 0.06 1.40 0.33 0.40 0.09 0.00 0.00 178.44 180.73 1f05 h ILE 49 N 0.17 1.18 0.38 1.22 1.08 -1.35 -0.28 117.51 119.90 1f05 h ILE 49 Ca -0.11 -0.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1f05 h ILE 49 Cb 1.54 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.69 1f05 h ILE 49 CO 0.17 0.19 -0.47 0.25 -0.69 0.00 0.00 178.15 177.60 1f05 h LEU 50 N 0.77 -1.30 -0.34 1.44 5.85 -1.48 0.41 115.31 120.65 1f05 h LEU 50 Ca 0.20 0.12 0.08 0.00 0.84 0.00 0.00 57.88 59.11 1f05 h LEU 50 Cb 0.01 0.45 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 1f05 h LEU 50 CO -0.04 -0.60 -0.18 0.00 -0.34 0.00 0.00 178.44 177.29 1f05 h ALA 51 N -0.61 0.08 -0.54 1.25 0.00 -1.16 -2.38 119.26 115.91 1f05 h ALA 51 Ca -0.04 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1f05 h ALA 51 Cb 0.80 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1f05 h ALA 51 CO -0.11 -0.56 -0.03 0.00 0.00 0.00 0.00 179.25 178.54 1f05 h ALA 52 N 1.12 0.93 -0.01 0.00 0.00 -0.84 -2.87 119.26 117.59 1f05 h ALA 52 Ca 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1f05 h ALA 52 Cb 0.39 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1f05 h ALA 52 CO -0.42 0.64 0.03 0.00 0.00 0.00 0.00 179.25 179.49 1f05 h ALA 53 N 1.09 1.14 -0.11 0.00 0.00 0.33 0.18 119.26 121.90 1f05 h ALA 53 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1f05 h ALA 53 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1f05 h ALA 53 CO 0.03 -0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1f05 n GLN 54 N -3.23 1.98 -3.02 0.00 6.02 -1.07 -4.77 117.38 113.29 1f05 n GLN 54 Ca -0.03 -1.45 -0.40 0.00 -0.01 0.00 0.00 57.00 55.11 1f05 n GLN 54 Cb 0.10 -1.46 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.88 4.45 0.25 -1.09 -1.94 0.63 -4.97 119.30 114.76 1f05 s MET 55 Ca 0.34 0.96 -0.05 0.00 -1.71 0.00 0.00 55.69 55.23 1f05 s MET 55 Cb 0.20 -3.41 0.47 0.00 2.01 0.00 0.00 34.83 34.10 1f05 s MET 55 CO 0.31 0.16 1.66 -1.35 -0.01 0.00 0.00 175.02 175.79 1f05 h PRO 56 N 6.30 0.19 -0.58 2.03 0.11 -1.91 -1.00 132.00 137.15 1f05 h PRO 56 Ca -0.42 -0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.84 1f05 h PRO 56 Cb 1.20 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1f05 h PRO 56 CO 0.73 0.13 0.45 0.00 -0.21 0.00 0.00 178.00 179.10 1f05 h ALA 57 N 1.65 2.48 -0.38 -0.75 0.00 -1.93 -2.24 119.26 118.10 1f05 h ALA 57 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1f05 h ALA 57 Cb 0.75 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1f05 h ALA 57 CO -0.57 -0.74 0.00 0.66 0.00 0.00 0.00 179.25 178.59 1f05 n TYR 58 N -4.20 0.97 0.32 0.00 4.02 -0.39 -4.53 117.16 113.35 1f05 n TYR 58 Ca 0.11 -0.71 0.20 0.00 -0.01 0.00 0.00 57.90 57.50 1f05 n TYR 58 Cb 0.68 -0.23 1.02 0.00 -0.02 0.00 0.00 39.34 40.80 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 2.44 0.00 -0.51 -0.72 1.08 -1.35 -1.93 115.11 114.13 1f05 h GLN 59 Ca 0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1f05 h GLN 59 Cb 1.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.68 1f05 h GLN 59 CO 0.18 0.01 -0.01 1.49 -0.95 0.00 0.00 178.83 179.54 1f05 h GLU 60 N 0.00 0.90 -0.43 1.46 4.81 -1.81 -2.22 114.58 117.29 1f05 h GLU 60 Ca -0.00 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.84 1f05 h GLU 60 Cb 0.18 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1f05 h GLU 60 CO 0.00 0.93 -0.14 -0.07 -0.73 0.00 0.00 179.01 179.01 1f05 h LEU 61 N 0.76 0.78 -0.55 1.64 3.38 -1.70 -2.75 115.31 116.88 1f05 h LEU 61 Ca 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1f05 h LEU 61 Cb 0.54 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1f05 h LEU 61 CO 0.03 0.93 0.28 0.58 0.09 0.00 0.00 178.44 180.35 1f05 h VAL 62 N 0.70 1.20 -0.37 1.22 2.07 -1.37 -0.91 116.25 118.79 1f05 h VAL 62 Ca 0.11 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 1f05 h VAL 62 Cb 0.63 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1f05 h VAL 62 CO 0.04 0.22 0.02 -0.33 0.02 0.00 0.00 177.57 177.54 1f05 h GLU 63 N 0.74 0.57 -0.36 1.57 4.39 -1.28 0.20 114.58 120.41 1f05 h GLU 63 Ca 0.19 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 1f05 h GLU 63 Cb 0.10 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1f05 h GLU 63 CO -0.03 0.58 -0.44 0.93 -1.16 0.00 0.00 179.01 178.89 1f05 h GLU 64 N 0.55 0.92 -0.45 2.33 5.08 -1.17 -1.69 114.58 120.15 1f05 h GLU 64 Ca 0.12 -0.52 -0.03 0.00 -1.00 0.00 0.00 59.36 57.92 1f05 h GLU 64 Cb 0.32 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1f05 h GLU 64 CO 0.01 1.17 0.14 0.00 -1.00 0.00 0.00 179.01 179.33 1f05 h ALA 65 N 0.75 0.59 -0.17 3.43 0.00 -0.68 -1.56 119.26 121.61 1f05 h ALA 65 Ca 0.05 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1f05 h ALA 65 Cb 1.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1f05 h ALA 65 CO 0.10 0.23 0.06 0.82 0.00 0.00 0.00 179.25 180.47 1f05 h ILE 66 N 0.59 0.96 -0.79 0.00 2.04 -0.88 -1.38 117.51 118.05 1f05 h ILE 66 Ca 0.15 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1f05 h ILE 66 Cb 0.26 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1f05 h ILE 66 CO -0.01 0.03 0.52 0.00 0.00 0.00 0.00 178.15 178.69 1f05 h ALA 67 N 1.10 1.57 -0.33 1.87 0.00 -1.12 0.94 119.26 123.29 1f05 h ALA 67 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1f05 h ALA 67 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1f05 h ALA 67 CO -0.07 0.34 0.16 -0.92 0.00 0.00 0.00 179.25 178.75 1f05 h TYR 68 N 0.93 0.47 0.37 0.00 3.20 -0.65 0.76 116.97 122.05 1f05 h TYR 68 Ca 0.33 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1f05 h TYR 68 Cb 0.12 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1f05 h TYR 68 CO -0.00 0.41 -0.32 0.78 -1.64 0.00 0.00 178.16 177.39 1f05 h GLY 69 N 0.40 -0.77 0.26 1.82 0.00 -0.14 -1.09 103.07 103.54 1f05 h GLY 69 Ca 0.11 0.37 0.12 0.00 0.00 0.00 0.00 47.33 47.93 1f05 h GLY 69 CO -0.01 -0.29 0.28 3.21 0.00 0.00 0.00 176.54 179.73 1f05 h ARG 70 N -0.71 0.43 -0.51 4.80 3.08 -0.47 -2.22 114.38 118.79 1f05 h ARG 70 Ca -0.03 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1f05 h ARG 70 Cb 0.63 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1f05 h ARG 70 CO -0.03 0.29 -0.09 -0.22 -1.07 0.00 0.00 179.97 178.84 1f05 h LYS 71 N 0.44 0.94 0.00 0.04 3.64 0.88 -2.71 116.57 119.80 1f05 h LYS 71 Ca 0.37 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1f05 h LYS 71 Cb 0.52 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1f05 h LYS 71 CO -0.36 0.98 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.51 1f05 h LEU 72 N 0.84 0.00 0.00 5.20 3.38 -0.83 -3.49 115.31 120.42 1f05 h LEU 72 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1f05 h LEU 72 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1f05 h LEU 72 CO 0.04 0.22 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1f05 n GLY 73 N 0.32 -0.16 0.13 0.83 0.00 -0.87 -5.06 105.19 100.39 1f05 n GLY 73 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.87 3.68 -0.02 0.00 -1.26 -4.37 105.19 101.35 1f05 n GLY 74 Ca 0.00 -2.00 -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 2.87 0.43 1.61 1.04 -1.26 -4.81 113.70 109.59 1f05 s SER 75 Ca 0.00 1.36 0.11 0.00 0.48 0.00 0.00 55.95 57.90 1f05 s SER 75 Cb 0.00 -2.03 0.94 0.00 0.10 0.00 0.00 66.02 65.03 1f05 s SER 75 CO 0.00 -3.00 2.02 1.56 0.98 0.00 0.00 173.24 174.80 1f05 h GLN 76 N -1.80 0.25 -0.46 4.02 4.20 -1.99 -1.50 115.11 117.83 1f05 h GLN 76 Ca -0.53 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.04 1f05 h GLN 76 Cb 1.31 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1f05 h GLN 76 CO 0.55 0.26 -0.17 0.93 -0.67 0.00 0.00 178.83 179.73 1f05 h GLU 77 N 0.25 0.90 -0.74 1.46 3.07 -1.98 0.10 114.58 117.64 1f05 h GLU 77 Ca 0.06 -0.35 -0.04 0.00 -0.50 0.00 0.00 59.36 58.53 1f05 h GLU 77 Cb 0.15 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1f05 h GLU 77 CO 0.00 1.00 0.30 -0.44 -1.40 0.00 0.00 179.01 178.47 1f05 h ASP 78 N 0.79 1.00 -0.16 1.42 3.32 -1.62 -1.63 116.42 119.54 1f05 h ASP 78 Ca 0.11 -0.14 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 1f05 h ASP 78 Cb 0.71 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1f05 h ASP 78 CO 0.05 0.89 -0.64 1.56 -1.72 0.00 0.00 179.24 179.38 1f05 h GLN 79 N 1.07 0.77 -0.28 3.56 4.20 -0.80 -0.87 115.11 122.77 1f05 h GLN 79 Ca 0.25 -0.55 -0.14 0.00 0.06 0.00 0.00 58.65 58.27 1f05 h GLN 79 Cb 0.19 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1f05 h GLN 79 CO -0.02 1.17 -0.40 0.82 -0.67 0.00 0.00 178.83 179.73 1f05 h ILE 80 N 0.57 1.29 0.20 2.54 1.08 -0.67 0.45 117.51 122.97 1f05 h ILE 80 Ca -0.01 -1.57 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 1f05 h ILE 80 Cb 1.25 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 36.51 1f05 h ILE 80 CO 0.13 0.50 -0.10 0.50 -0.69 0.00 0.00 178.15 178.50 1f05 h LYS 81 N 0.55 -0.27 -0.15 2.37 3.64 -1.29 -0.28 116.57 121.14 1f05 h LYS 81 Ca 0.05 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1f05 h LYS 81 Cb 0.93 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 1f05 h LYS 81 CO 0.08 0.03 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.29 1f05 h ASN 82 N -0.57 0.22 -0.14 4.20 2.35 -1.15 0.41 115.58 120.89 1f05 h ASN 82 Ca -0.03 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1f05 h ASN 82 Cb 0.42 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1f05 h ASN 82 CO 0.05 0.35 -0.06 0.00 -1.65 0.00 0.00 177.43 176.11 1f05 h ALA 83 N 1.68 0.20 -0.37 -0.83 0.00 -0.75 -0.48 119.26 118.71 1f05 h ALA 83 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1f05 h ALA 83 Cb 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1f05 h ALA 83 CO 0.02 -0.01 0.04 0.82 0.00 0.00 0.00 179.25 180.11 1f05 h ILE 84 N -0.04 1.25 -0.53 0.00 2.04 -0.64 0.28 117.51 119.86 1f05 h ILE 84 Ca 0.03 -0.90 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1f05 h ILE 84 Cb 0.52 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 1f05 h ILE 84 CO 0.02 0.30 0.31 0.44 0.00 0.00 0.00 178.15 179.22 1f05 h ASP 85 N 0.46 0.49 -0.63 1.72 3.32 -0.17 -0.96 116.42 120.65 1f05 h ASP 85 Ca 0.11 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1f05 h ASP 85 Cb 0.40 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1f05 h ASP 85 CO 0.01 0.34 0.05 0.50 -1.72 0.00 0.00 179.24 178.42 1f05 h LYS 86 N 0.61 1.08 -0.27 3.56 1.63 -0.81 -1.99 116.57 120.38 1f05 h LYS 86 Ca 0.22 -0.32 0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1f05 h LYS 86 Cb 0.05 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 1f05 h LYS 86 CO -0.11 1.03 0.01 1.25 -3.45 0.00 0.00 179.45 178.17 1f05 h LEU 87 N 0.99 -0.10 -0.22 5.20 5.85 0.26 0.40 115.31 127.69 1f05 h LEU 87 Ca 0.18 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.00 1f05 h LEU 87 Cb 0.51 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1f05 h LEU 87 CO 0.02 -0.02 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.83 1f05 h PHE 88 N 0.09 -0.05 -1.00 1.25 -1.00 -0.99 -1.08 116.94 114.15 1f05 h PHE 88 Ca 0.13 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.96 1f05 h PHE 88 Cb 0.16 0.06 -0.06 0.00 3.61 0.00 0.00 35.95 39.72 1f05 h PHE 88 CO -0.20 -0.06 0.66 0.28 -1.61 0.00 0.00 178.31 177.38 1f05 h VAL 89 N 0.04 1.18 -0.17 -0.55 2.07 -0.59 0.32 116.25 118.54 1f05 h VAL 89 Ca 0.10 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1f05 h VAL 89 Cb 0.14 -0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 1f05 h VAL 89 CO -0.20 0.23 0.08 -0.07 0.02 0.00 0.00 177.57 177.64 1f05 h LEU 90 N 1.28 0.23 -0.77 2.57 3.38 0.51 0.16 115.31 122.67 1f05 h LEU 90 Ca 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1f05 h LEU 90 Cb -0.01 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1f05 h LEU 90 CO -0.12 0.31 0.47 -0.26 0.09 0.00 0.00 178.44 178.93 1f05 h PHE 91 N 0.14 1.00 -0.06 1.13 -1.00 -0.86 -1.64 116.94 115.66 1f05 h PHE 91 Ca 0.06 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.87 1f05 h PHE 91 Cb 0.14 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.34 1f05 h PHE 91 CO -0.02 0.67 -0.12 0.78 -1.61 0.00 0.00 178.31 178.00 1f05 h GLY 92 N 1.05 -0.10 0.99 -1.45 0.00 -0.31 -0.71 103.07 102.54 1f05 h GLY 92 Ca 0.28 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1f05 h GLY 92 CO -0.05 -0.13 0.46 0.00 0.00 0.00 0.00 176.54 176.82 1f05 h ALA 93 N 0.84 0.89 -0.43 3.60 0.00 -0.38 -0.86 119.26 122.93 1f05 h ALA 93 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1f05 h ALA 93 Cb 0.27 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1f05 h ALA 93 CO -0.17 0.30 0.25 0.93 0.00 0.00 0.00 179.25 180.56 1f05 h GLU 94 N 0.94 0.60 -0.50 0.00 4.39 -0.97 -2.44 114.58 116.59 1f05 h GLU 94 Ca 0.26 -0.06 0.03 0.00 0.34 0.00 0.00 59.36 59.93 1f05 h GLU 94 Cb -0.09 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.40 1f05 h GLU 94 CO -0.06 0.46 0.28 0.82 -1.16 0.00 0.00 179.01 179.34 1f05 h ILE 95 N 0.57 1.01 -0.26 3.13 2.04 -0.73 -2.25 117.51 121.02 1f05 h ILE 95 Ca 0.15 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.88 1f05 h ILE 95 Cb 0.02 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1f05 h ILE 95 CO -0.03 0.10 0.18 -0.07 0.00 0.00 0.00 178.15 178.34 1f05 h LEU 96 N 0.55 0.09 -1.44 1.44 3.38 -0.71 0.10 115.31 118.72 1f05 h LEU 96 Ca 0.21 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1f05 h LEU 96 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1f05 h LEU 96 CO -0.12 0.06 0.00 0.11 0.09 0.00 0.00 178.44 178.57 1f05 h LYS 97 N 0.10 0.00 0.00 1.13 1.57 -1.00 -2.95 116.57 115.42 1f05 h LYS 97 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1f05 h LYS 97 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1f05 h LYS 97 CO -0.01 0.00 -1.14 1.63 -0.57 0.00 0.00 179.45 179.36 1f05 n LYS 98 N -2.97 0.23 -4.25 3.15 4.76 -0.00 -4.98 118.16 114.09 1f05 n LYS 98 Ca 0.01 -0.03 -0.14 0.00 -2.87 0.00 0.00 58.31 55.27 1f05 n LYS 98 Cb 0.28 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 31.83 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 -3.17 1.13 -0.33 -0.18 -4.36 -1.05 -4.67 121.20 108.57 1f05 s ILE 99 Ca 0.04 -2.05 0.23 0.00 -0.26 0.00 0.00 60.65 58.60 1f05 s ILE 99 Cb 0.15 -1.89 0.15 0.00 1.25 0.00 0.00 42.46 42.12 1f05 s ILE 99 CO 0.83 -0.71 1.30 1.55 0.24 0.00 0.00 174.94 178.16 1f05 h PRO 100 N 2.76 0.00 0.00 0.37 0.13 -1.78 -3.45 132.00 130.02 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 1.15 1.46 3.79 1.56 0.00 0.54 -5.05 105.19 108.65 1f05 n GLY 101 Ca 0.02 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.85 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 4.56 2.79 0.09 1.61 0.52 -1.26 -4.85 118.95 122.42 1f05 s ARG 102 Ca 0.00 -1.14 0.09 0.00 -0.52 0.00 0.00 55.73 54.16 1f05 s ARG 102 Cb 0.00 -2.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.95 1f05 s ARG 102 CO 0.00 0.37 -0.25 0.08 0.02 0.00 0.00 175.30 175.53 1f05 s VAL 103 N -2.18 2.03 -0.20 3.52 1.01 -0.64 -0.91 120.40 123.02 1f05 s VAL 103 Ca 0.33 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.70 1f05 s VAL 103 Cb -0.07 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1f05 s VAL 103 CO 0.24 0.14 0.04 -0.44 0.00 0.00 0.00 175.10 175.08 1f05 s SER 104 N -1.71 5.30 -0.15 3.32 0.01 -0.79 -1.15 113.70 118.53 1f05 s SER 104 Ca 0.11 -0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.33 1f05 s SER 104 Cb -0.10 -1.91 0.01 0.00 0.21 0.00 0.00 66.02 64.23 1f05 s SER 104 CO 0.04 0.11 -0.21 -0.89 0.41 0.00 0.00 173.24 172.70 1f05 s THR 105 N 0.77 2.13 -0.08 1.44 2.01 -0.28 -2.60 115.64 119.03 1f05 s THR 105 Ca 0.02 -0.95 -0.13 0.00 0.31 0.00 0.00 61.69 60.94 1f05 s THR 105 Cb -0.14 -1.86 -0.05 0.00 0.01 0.00 0.00 72.50 70.46 1f05 s THR 105 CO 0.02 0.54 0.32 -0.70 -0.69 0.00 0.00 174.62 174.12 1f05 s GLU 106 N 0.88 3.94 0.38 4.92 2.12 -1.26 -0.30 118.70 129.38 1f05 s GLU 106 Ca -0.05 0.21 -0.24 0.00 0.36 0.00 0.00 54.97 55.24 1f05 s GLU 106 Cb -0.15 -3.29 -0.10 0.00 0.26 0.00 0.00 34.13 30.85 1f05 s GLU 106 CO -0.03 0.54 0.99 0.14 -0.54 0.00 0.00 175.26 176.36 1f05 s VAL 107 N -0.51 4.03 -0.00 3.70 -7.23 -0.96 -4.87 120.40 114.57 1f05 s VAL 107 Ca 0.20 1.53 -0.35 0.00 -1.81 0.00 0.00 61.98 61.55 1f05 s VAL 107 Cb -0.14 -3.78 -0.17 0.00 0.56 0.00 0.00 36.38 32.84 1f05 s VAL 107 CO 0.08 -0.01 0.92 -0.67 -0.31 0.00 0.00 175.10 175.11 1f05 n ASP 108 N 0.02 -0.01 0.30 4.85 -0.08 -1.26 -4.82 116.55 115.56 1f05 n ASP 108 Ca 0.04 1.00 0.19 0.00 -1.51 0.00 0.00 54.79 54.51 1f05 n ASP 108 Cb 0.51 -0.79 0.95 0.00 2.34 0.00 0.00 41.12 44.13 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 2.59 1.08 0.00 -1.67 0.00 -1.90 -2.27 119.26 117.09 1f05 h ALA 109 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1f05 h ALA 109 Cb 1.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1f05 h ALA 109 CO 0.56 0.03 0.00 0.54 0.00 0.00 0.00 179.25 180.38 1f05 n ARG 110 N -3.22 0.36 -0.07 0.00 1.74 -1.26 -1.81 116.66 112.40 1f05 n ARG 110 Ca -0.02 0.07 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1f05 n ARG 110 Cb 0.18 -1.50 0.12 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.15 2.77 -0.49 0.55 4.77 -0.85 -4.66 117.00 117.93 1f05 n LEU 111 Ca 0.10 -1.22 0.41 0.00 -0.03 0.00 0.00 56.01 55.27 1f05 n LEU 111 Cb 0.09 -0.09 0.74 0.00 -2.33 0.00 0.00 43.42 41.84 1f05 n LEU 111 CO 0.11 0.54 1.36 0.28 -1.33 0.00 0.00 177.39 178.35 1f05 h SER 112 N 3.60 0.09 -0.35 -1.43 0.02 -1.53 0.31 113.55 114.26 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 0.80 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.37 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 -4.25 0.46 -3.75 3.45 3.01 -1.26 -4.00 117.46 111.12 1f05 n PHE 113 Ca 0.35 -0.42 -0.36 0.00 1.01 0.00 0.00 57.45 58.03 1f05 n PHE 113 Cb 1.54 -0.02 -0.11 0.00 -0.01 0.00 0.00 39.48 40.88 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 0.11 -4.94 116.67 119.45 1f05 s ASP 114 Ca 0.25 -2.44 -0.29 0.00 -0.52 0.00 0.00 52.55 49.55 1f05 s ASP 114 Cb 0.14 -1.84 -0.10 0.00 -1.46 0.00 0.00 42.92 39.66 1f05 s ASP 114 CO 0.18 -0.45 1.62 0.50 0.52 0.00 0.00 175.17 177.54 1f05 h LYS 115 N 7.53 -0.55 -0.07 4.34 3.11 -1.82 -2.47 116.57 126.63 1f05 h LYS 115 Ca -0.08 0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.77 1f05 h LYS 115 Cb 1.00 0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1f05 h LYS 115 CO 0.71 -0.37 -0.10 -0.44 -2.81 0.00 0.00 179.45 176.44 1f05 h ASP 116 N -0.57 0.10 -0.34 4.20 5.19 -1.94 -2.35 116.42 120.72 1f05 h ASP 116 Ca 0.01 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 1f05 h ASP 116 Cb 0.57 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1f05 h ASP 116 CO -0.14 0.22 -0.47 0.00 -3.12 0.00 0.00 179.24 175.73 1f05 h ALA 117 N 1.80 0.51 -0.58 3.45 0.00 -1.87 -1.88 119.26 120.68 1f05 h ALA 117 Ca 0.02 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1f05 h ALA 117 Cb 0.25 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1f05 h ALA 117 CO 0.01 0.67 0.11 0.52 0.00 0.00 0.00 179.25 180.56 1f05 h MET 118 N 0.72 0.93 0.10 0.00 2.86 -1.09 -0.08 114.93 118.36 1f05 h MET 118 Ca 0.04 -0.22 -0.01 0.00 -2.06 0.00 0.00 59.70 57.45 1f05 h MET 118 Cb 1.07 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1f05 h MET 118 CO 0.11 0.86 -0.05 0.28 1.06 0.00 0.00 176.91 179.17 1f05 h VAL 119 N 0.88 1.07 -0.63 -2.22 2.07 -1.34 -0.74 116.25 115.34 1f05 h VAL 119 Ca 0.18 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1f05 h VAL 119 Cb 0.37 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1f05 h VAL 119 CO 0.01 0.17 0.41 0.00 0.02 0.00 0.00 177.57 178.18 1f05 h ALA 120 N 0.37 0.80 -0.36 1.67 0.00 -1.27 -0.97 119.26 119.52 1f05 h ALA 120 Ca -0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1f05 h ALA 120 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1f05 h ALA 120 CO 0.02 0.24 -0.09 -0.09 0.00 0.00 0.00 179.25 179.33 1f05 h ARG 121 N 0.86 0.61 -0.18 0.00 9.65 -1.01 -1.36 114.38 122.95 1f05 h ARG 121 Ca 0.23 -0.18 -0.03 0.00 -1.10 0.00 0.00 59.98 58.91 1f05 h ARG 121 Cb -0.08 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.43 1f05 h ARG 121 CO -0.05 0.70 0.01 0.00 2.80 0.00 0.00 179.97 183.43 1f05 h ALA 122 N 1.34 0.24 -0.96 2.80 0.00 -0.48 -1.36 119.26 120.83 1f05 h ALA 122 Ca 0.10 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1f05 h ALA 122 Cb 0.50 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1f05 h ALA 122 CO 0.03 -0.07 0.63 0.00 0.00 0.00 0.00 179.25 179.84 1f05 h ARG 123 N 0.07 1.16 -0.27 0.00 3.08 -0.96 -1.42 114.38 116.05 1f05 h ARG 123 Ca 0.05 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1f05 h ARG 123 Cb 0.36 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1f05 h ARG 123 CO 0.01 0.77 0.12 -0.09 -1.07 0.00 0.00 179.97 179.71 1f05 h ARG 124 N 1.20 0.25 -0.62 0.04 9.65 -0.89 0.29 114.38 124.30 1f05 h ARG 124 Ca 0.39 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.24 1f05 h ARG 124 Cb 0.03 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.53 1f05 h ARG 124 CO -0.12 0.17 0.34 -0.07 2.80 0.00 0.00 179.97 183.09 1f05 h LEU 125 N 0.26 0.78 -1.60 3.80 3.38 -0.62 -0.48 115.31 120.83 1f05 h LEU 125 Ca 0.11 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1f05 h LEU 125 Cb 0.05 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1f05 h LEU 125 CO -0.09 0.65 0.03 0.40 0.09 0.00 0.00 178.44 179.52 1f05 h ILE 126 N 0.85 1.11 0.09 1.22 1.08 -0.80 -0.99 117.51 120.08 1f05 h ILE 126 Ca 0.22 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1f05 h ILE 126 Cb 0.04 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.72 1f05 h ILE 126 CO -0.04 0.14 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.44 1f05 h GLU 127 N 0.29 -0.12 -0.83 2.37 4.57 0.01 -1.23 114.58 119.64 1f05 h GLU 127 Ca 0.07 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.37 1f05 h GLU 127 Cb 0.15 0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.69 1f05 h GLU 127 CO -0.00 0.29 0.46 -0.07 -1.18 0.00 0.00 179.01 178.51 1f05 h LEU 128 N -0.57 0.64 -0.68 1.64 3.38 -0.71 0.19 115.31 119.21 1f05 h LEU 128 Ca -0.01 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1f05 h LEU 128 Cb 0.47 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1f05 h LEU 128 CO 0.02 0.35 0.29 1.88 0.09 0.00 0.00 178.44 181.07 1f05 h TYR 129 N 0.75 1.01 -0.73 1.13 0.05 -1.14 -2.37 116.97 115.67 1f05 h TYR 129 Ca 0.41 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.12 1f05 h TYR 129 Cb 0.44 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.84 1f05 h TYR 129 CO -0.07 0.77 0.41 -0.22 -1.05 0.00 0.00 178.16 178.01 1f05 h LYS 130 N 0.95 1.00 0.00 4.88 3.64 0.40 -0.22 116.57 127.21 1f05 h LYS 130 Ca 0.23 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1f05 h LYS 130 Cb 0.17 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 1f05 h LYS 130 CO -0.02 0.72 -0.12 0.93 -2.27 0.00 0.00 179.45 178.69 1f05 h GLU 131 N 1.01 0.00 -0.61 1.90 5.08 -0.26 -1.18 114.58 120.52 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 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.08 1f05 n ALA 132 N -2.23 2.88 -1.06 3.43 0.00 -0.22 -4.92 120.51 118.40 1f05 n ALA 132 Ca -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 1f05 n ALA 132 Cb 0.28 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 0.99 0.54 3.74 0.00 0.00 -0.45 -5.02 105.19 105.00 1f05 n GLY 133 Ca 0.19 -0.35 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.94 5.41 0.48 -0.61 -1.09 -0.49 -4.99 121.20 117.96 1f05 s ILE 134 Ca 0.00 0.22 -0.18 0.00 -2.23 0.00 0.00 60.65 58.46 1f05 s ILE 134 Cb 0.00 -3.48 -0.09 0.00 -1.58 0.00 0.00 42.46 37.31 1f05 s ILE 134 CO 0.00 0.45 0.97 -0.55 -1.23 0.00 0.00 174.94 174.57 1f05 s SER 135 N 0.29 6.75 0.42 3.58 0.15 -1.26 -3.35 113.70 120.29 1f05 s SER 135 Ca 0.09 1.61 0.29 0.00 0.70 0.00 0.00 55.95 58.65 1f05 s SER 135 Cb -0.11 -2.52 1.31 0.00 -1.71 0.00 0.00 66.02 62.99 1f05 s SER 135 CO -0.01 -0.49 1.88 0.07 1.20 0.00 0.00 173.24 175.89 1f05 h LYS 136 N 1.34 0.00 0.00 5.44 2.10 -1.94 -2.16 116.57 121.35 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 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 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 -2.65 0.46 -0.92 7.07 10.43 -1.26 -0.74 116.55 128.93 1f05 n ASP 137 Ca 0.01 0.65 0.12 0.00 2.57 0.00 0.00 54.79 58.13 1f05 n ASP 137 Cb 0.22 -0.73 0.12 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 -2.04 2.27 -4.98 -1.24 5.12 -0.81 -4.82 116.66 110.16 1f05 n ARG 138 Ca 0.01 -1.86 -0.31 0.00 -1.93 0.00 0.00 57.85 53.77 1f05 n ARG 138 Cb 0.14 -1.46 -0.15 0.00 -1.16 0.00 0.00 32.46 29.83 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 -2.01 2.25 -0.16 0.55 -1.09 0.08 -1.62 121.20 119.20 1f05 s ILE 139 Ca 0.28 -1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 57.44 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 0.31 0.43 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.60 1f05 s LEU 140 N -1.08 1.70 -0.23 2.97 1.43 -0.30 -4.47 118.68 118.69 1f05 s LEU 140 Ca 0.12 -0.62 -0.24 0.00 -1.03 0.00 0.00 54.13 52.36 1f05 s LEU 140 Cb -0.10 -1.02 -0.01 0.00 0.03 0.00 0.00 46.19 45.09 1f05 s LEU 140 CO 0.02 -0.14 0.82 -0.63 0.23 0.00 0.00 176.35 176.65 1f05 s ILE 141 N 1.57 4.85 -0.03 -0.59 -1.09 -0.48 -1.13 121.20 124.29 1f05 s ILE 141 Ca 0.02 1.56 -0.27 0.00 -2.23 0.00 0.00 60.65 59.74 1f05 s ILE 141 Cb -0.15 -4.11 -0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1f05 s ILE 141 CO -0.08 -0.05 0.83 -0.54 -1.23 0.00 0.00 174.94 173.86 1f05 s LYS 142 N 2.72 4.50 0.04 2.79 1.02 0.58 -0.21 119.74 131.18 1f05 s LYS 142 Ca 0.35 1.14 0.05 0.00 0.02 0.00 0.00 55.97 57.53 1f05 s LYS 142 Cb -0.15 -3.45 -0.02 0.00 -0.52 0.00 0.00 37.83 33.68 1f05 s LYS 142 CO 0.08 0.01 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.86 1f05 s LEU 143 N 0.89 2.17 0.37 3.17 1.43 -0.74 -2.25 118.68 123.72 1f05 s LEU 143 Ca 0.44 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 1f05 s LEU 143 Cb -0.19 -0.65 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 1f05 s LEU 143 CO 0.23 0.05 1.36 -0.44 0.23 0.00 0.00 176.35 177.77 1f05 s SER 144 N -1.15 6.48 -0.92 2.29 0.01 -1.26 -0.73 113.70 118.41 1f05 s SER 144 Ca 0.02 2.79 -0.07 0.00 1.31 0.00 0.00 55.95 60.00 1f05 s SER 144 Cb -0.08 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.43 1f05 s SER 144 CO 0.01 -0.75 2.99 -1.20 0.41 0.00 0.00 173.24 174.70 1f05 n SER 145 N 0.46 7.28 -4.96 2.44 7.64 -0.02 -4.19 113.62 122.28 1f05 n SER 145 Ca 0.02 -2.78 -0.23 0.00 1.01 0.00 0.00 58.87 56.89 1f05 n SER 145 Cb 0.42 -1.42 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 0.38 3.31 0.22 0.44 -4.23 -1.26 -4.86 115.64 109.64 1f05 s THR 146 Ca 0.64 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 60.57 1f05 s THR 146 Cb 0.25 -3.25 0.16 0.00 1.34 0.00 0.00 72.50 71.01 1f05 s THR 146 CO -0.08 -0.19 1.77 -0.25 -0.54 0.00 0.00 174.62 175.33 1f05 h TRP 147 N 0.14 0.56 -0.28 3.99 2.91 -1.90 0.11 115.95 121.48 1f05 h TRP 147 Ca -0.44 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.50 1f05 h TRP 147 Cb 1.27 -0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.76 1f05 h TRP 147 CO 0.41 0.19 -0.26 1.05 -1.03 0.00 0.00 178.44 178.79 1f05 h GLU 148 N 0.54 0.56 -0.75 2.65 9.09 -1.92 -0.52 114.58 124.22 1f05 h GLU 148 Ca 0.34 -0.22 -0.06 0.00 0.05 0.00 0.00 59.36 59.47 1f05 h GLU 148 Cb 0.37 -0.03 -0.03 0.00 -1.65 0.00 0.00 28.75 27.42 1f05 h GLU 148 CO -0.28 0.77 0.24 0.78 0.05 0.00 0.00 179.01 180.57 1f05 h GLY 149 N 1.02 1.24 1.27 1.06 0.00 -1.44 0.35 103.07 106.57 1f05 h GLY 149 Ca 0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 47.33 46.55 1f05 h GLY 149 CO 0.05 0.68 -0.19 -2.22 0.00 0.00 0.00 176.54 174.86 1f05 h ILE 150 N 1.11 1.27 -0.15 2.60 2.04 -0.69 0.46 117.51 124.14 1f05 h ILE 150 Ca 0.24 -1.32 -0.13 0.00 1.00 0.00 0.00 64.86 64.66 1f05 h ILE 150 Cb 0.30 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1f05 h ILE 150 CO -0.01 0.45 -0.46 1.56 0.00 0.00 0.00 178.15 179.69 1f05 h GLN 151 N 0.74 0.37 -0.57 2.37 1.08 -0.59 0.26 115.11 118.77 1f05 h GLN 151 Ca 0.11 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1f05 h GLN 151 Cb 0.72 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 1f05 h GLN 151 CO 0.06 0.75 0.14 0.00 -0.95 0.00 0.00 178.83 178.83 1f05 h ALA 152 N 1.22 0.75 -0.12 3.87 0.00 0.15 -0.96 119.26 124.17 1f05 h ALA 152 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1f05 h ALA 152 Cb 0.92 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1f05 h ALA 152 CO 0.08 0.46 0.02 0.78 0.00 0.00 0.00 179.25 180.59 1f05 h GLY 153 N 0.82 0.13 0.35 0.00 0.00 -0.30 0.56 103.07 104.63 1f05 h GLY 153 Ca 0.18 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.56 1f05 h GLY 153 CO 0.00 -0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.10 1f05 h LYS 154 N 0.07 -0.12 -0.41 4.80 3.64 -0.63 -0.88 116.57 123.04 1f05 h LYS 154 Ca 0.05 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1f05 h LYS 154 Cb 0.05 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1f05 h LYS 154 CO -0.07 -0.08 0.26 1.49 -2.27 0.00 0.00 179.45 178.78 1f05 h GLU 155 N -0.12 0.55 -0.73 1.90 4.81 -0.85 -0.72 114.58 119.41 1f05 h GLU 155 Ca 0.13 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1f05 h GLU 155 Cb 0.32 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1f05 h GLU 155 CO -0.31 0.39 0.45 -0.07 -0.73 0.00 0.00 179.01 178.74 1f05 h LEU 156 N 0.55 0.72 -0.12 1.64 3.38 -0.41 0.40 115.31 121.47 1f05 h LEU 156 Ca 0.15 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1f05 h LEU 156 Cb -0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1f05 h LEU 156 CO -0.03 0.49 -0.12 -0.33 0.09 0.00 0.00 178.44 178.54 1f05 h GLU 157 N 0.86 0.29 0.16 1.13 4.39 -0.90 0.72 114.58 121.23 1f05 h GLU 157 Ca 0.31 -0.15 -0.30 0.00 0.34 0.00 0.00 59.36 59.55 1f05 h GLU 157 Cb 0.08 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1f05 h GLU 157 CO -0.14 0.69 -1.39 0.93 -1.16 0.00 0.00 179.01 177.95 1f05 h GLU 158 N -0.10 0.34 0.00 2.33 5.08 -0.97 -2.84 114.58 118.42 1f05 h GLU 158 Ca 0.02 -0.58 -0.09 0.00 -1.00 0.00 0.00 59.36 57.71 1f05 h GLU 158 Cb 0.64 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1f05 h GLU 158 CO 0.03 1.26 -1.78 1.04 -1.00 0.00 0.00 179.01 178.55 1f05 n GLN 159 N -3.56 0.65 0.00 2.33 1.13 0.14 -4.61 117.38 113.45 1f05 n GLN 159 Ca -0.13 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1f05 n GLN 159 Cb 1.05 -1.63 0.00 0.00 0.11 0.00 0.00 30.24 29.78 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 -2.53 0.00 -2.74 1.08 8.25 -0.87 -5.01 115.22 113.41 1f05 n HIS 160 Ca -0.09 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 1f05 n HIS 160 Cb 0.71 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.84 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 0.03 -0.47 3.51 -1.41 0.00 -0.38 -4.96 105.19 101.51 1f05 n GLY 161 Ca 0.00 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.10 4.53 0.10 -0.61 1.01 0.11 -4.95 121.20 118.29 1f05 s ILE 162 Ca 0.17 -0.10 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1f05 s ILE 162 Cb -0.08 -3.10 -0.06 0.00 0.01 0.00 0.00 42.46 39.24 1f05 s ILE 162 CO 0.21 0.36 0.92 -1.00 0.00 0.00 0.00 174.94 175.44 1f05 s HIS 163 N 1.28 3.80 0.23 3.97 3.76 -1.26 -2.91 115.29 124.16 1f05 s HIS 163 Ca 0.05 1.74 0.10 0.00 -0.15 0.00 0.00 55.06 56.80 1f05 s HIS 163 Cb -0.15 -3.00 -0.04 0.00 1.11 0.00 0.00 32.58 30.50 1f05 s HIS 163 CO 0.04 0.23 -0.14 0.00 -0.85 0.00 0.00 174.74 174.01 1f05 s ASN 165 N -3.13 4.48 -0.29 0.00 3.84 0.70 -1.69 114.94 118.85 1f05 s ASN 165 Ca 0.26 -2.55 -0.29 0.00 0.21 0.00 0.00 52.86 50.50 1f05 s ASN 165 Cb -0.07 -1.57 -0.01 0.00 -0.55 0.00 0.00 41.25 39.05 1f05 s ASN 165 CO 0.15 -0.31 1.47 -0.04 -2.79 0.00 0.00 177.10 175.57 1f05 s MET 166 N 0.36 3.77 0.41 0.43 -1.94 0.28 -1.79 119.30 120.82 1f05 s MET 166 Ca 0.14 1.35 0.03 0.00 -1.71 0.00 0.00 55.69 55.50 1f05 s MET 166 Cb -0.22 -3.98 0.03 0.00 2.01 0.00 0.00 34.83 32.67 1f05 s MET 166 CO -0.05 -1.31 0.27 -2.37 -0.01 0.00 0.00 175.02 171.55 1f05 n THR 167 N 6.52 0.00 -3.94 2.05 5.66 0.09 -0.19 114.28 124.47 1f05 n THR 167 Ca 0.17 -1.65 -0.30 0.00 -3.05 0.00 0.00 64.05 59.22 1f05 n THR 167 Cb 0.46 -0.09 0.02 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.46 -4.60 1.09 4.77 -1.25 -0.84 117.00 113.70 1f05 n LEU 168 Ca -0.03 -0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 54.71 1f05 n LEU 168 Cb 0.47 -2.48 -0.08 0.00 -2.33 0.00 0.00 43.42 39.01 1f05 n LEU 168 CO 0.27 0.43 0.25 -0.22 -1.33 0.00 0.00 177.39 176.80 1f05 s LEU 169 N -7.21 4.11 0.00 2.23 0.20 -1.25 -4.38 118.68 112.38 1f05 s LEU 169 Ca 0.58 0.40 0.00 0.00 0.69 0.00 0.00 54.13 55.80 1f05 s LEU 169 Cb -0.29 -2.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.81 1f05 s LEU 169 CO 0.85 -0.34 0.00 0.49 -0.29 0.00 0.00 176.35 177.05 1f05 n PHE 170 N 5.62 0.00 -2.46 5.38 3.72 -1.26 -2.84 117.46 125.62 1f05 n PHE 170 Ca -0.04 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.09 1f05 n PHE 170 Cb 0.49 0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 -4.28 5.86 0.27 4.37 1.04 -1.26 -4.84 113.70 114.85 1f05 s SER 171 Ca 0.00 0.82 0.06 0.00 0.48 0.00 0.00 55.95 57.31 1f05 s SER 171 Cb 0.00 -1.93 0.36 0.00 0.10 0.00 0.00 66.02 64.55 1f05 s SER 171 CO 0.00 -0.88 1.64 0.15 0.98 0.00 0.00 173.24 175.12 1f05 h PHE 172 N -0.04 0.27 -0.09 5.02 3.57 -1.96 -2.72 116.94 120.99 1f05 h PHE 172 Ca -0.46 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 60.97 1f05 h PHE 172 Cb 1.23 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1f05 h PHE 172 CO 0.52 0.68 -0.00 0.00 -2.23 0.00 0.00 178.31 177.28 1f05 h ALA 173 N 1.30 0.07 -0.46 2.41 0.00 -1.92 0.43 119.26 121.09 1f05 h ALA 173 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1f05 h ALA 173 Cb 0.96 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1f05 h ALA 173 CO 0.08 -0.47 0.14 1.96 0.00 0.00 0.00 179.25 180.96 1f05 h GLN 174 N 0.02 0.29 -1.00 0.00 4.20 -1.88 0.78 115.11 117.54 1f05 h GLN 174 Ca 0.04 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1f05 h GLN 174 Cb 0.05 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 1f05 h GLN 174 CO -0.07 0.19 0.64 0.00 -0.67 0.00 0.00 178.83 178.93 1f05 h ALA 175 N 1.32 1.38 0.02 3.87 0.00 -1.08 -0.78 119.26 123.99 1f05 h ALA 175 Ca 0.22 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1f05 h ALA 175 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1f05 h ALA 175 CO -0.24 0.45 -0.01 0.28 0.00 0.00 0.00 179.25 179.72 1f05 h VAL 176 N 1.18 1.27 -0.98 0.00 2.07 0.29 -2.25 116.25 117.82 1f05 h VAL 176 Ca 0.43 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 67.11 1f05 h VAL 176 Cb 0.15 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.73 1f05 h VAL 176 CO -0.17 0.23 0.63 0.00 0.02 0.00 0.00 177.57 178.29 1f05 h ALA 177 N 0.53 1.47 -0.62 1.67 0.00 -0.57 -1.36 119.26 120.37 1f05 h ALA 177 Ca -0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1f05 h ALA 177 Cb 0.41 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1f05 h ALA 177 CO 0.01 0.35 0.04 0.00 0.00 0.00 0.00 179.25 179.65 1f05 h ALA 179 N 1.06 0.12 0.00 0.00 0.00 -0.65 -2.24 119.26 117.54 1f05 h ALA 179 Ca 0.18 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 1f05 h ALA 179 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1f05 h ALA 179 CO 0.02 -0.31 -0.22 0.93 0.00 0.00 0.00 179.25 179.66 1f05 h GLU 180 N 0.01 0.00 0.00 0.00 5.08 -1.27 -0.82 114.58 117.58 1f05 h GLU 180 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1f05 h GLU 180 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1f05 h GLU 180 CO -0.00 0.22 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1f05 n ALA 181 N -2.31 2.14 -3.12 3.43 0.00 -0.40 -4.91 120.51 115.33 1f05 n ALA 181 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 1f05 n ALA 181 Cb 0.34 -1.39 0.04 0.00 0.00 0.00 0.00 19.45 18.44 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 0.97 -0.51 3.78 0.00 0.00 -0.31 -4.49 105.19 104.63 1f05 n GLY 182 Ca 0.07 0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.21 3.46 0.08 1.61 -7.23 -1.16 -4.97 120.40 108.99 1f05 s VAL 183 Ca 0.35 0.58 -0.19 0.00 -1.81 0.00 0.00 61.98 60.92 1f05 s VAL 183 Cb -0.16 -3.12 -0.08 0.00 0.56 0.00 0.00 36.38 33.58 1f05 s VAL 183 CO 0.44 -0.51 1.52 0.74 -0.31 0.00 0.00 175.10 176.98 1f05 h THR 184 N -0.39 1.25 -3.04 5.32 2.02 -1.94 -3.39 112.91 112.74 1f05 h THR 184 Ca -0.45 -0.88 -0.12 0.00 0.77 0.00 0.00 66.41 65.73 1f05 h THR 184 Cb 1.23 1.35 -0.20 0.00 -1.74 0.00 0.00 68.15 68.79 1f05 h THR 184 CO 0.54 0.28 -0.28 -0.22 0.37 0.00 0.00 175.52 176.21 1f05 s LEU 185 N -9.50 0.86 0.07 2.58 0.20 -0.68 -0.63 118.68 111.58 1f05 s LEU 185 Ca -0.14 0.09 0.08 0.00 0.69 0.00 0.00 54.13 54.86 1f05 s LEU 185 Cb 0.07 1.25 -0.03 0.00 -0.43 0.00 0.00 46.19 47.06 1f05 s LEU 185 CO 0.74 -0.44 -0.22 0.27 -0.29 0.00 0.00 176.35 176.42 1f05 s ILE 186 N -1.30 1.78 -0.53 6.68 -4.36 -0.28 -0.56 121.20 122.64 1f05 s ILE 186 Ca -0.13 -1.39 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 1f05 s ILE 186 Cb -0.05 -1.57 0.15 0.00 1.25 0.00 0.00 42.46 42.23 1f05 s ILE 186 CO 0.04 0.12 0.32 -0.94 0.24 0.00 0.00 174.94 174.72 1f05 s SER 187 N -1.51 3.98 0.11 4.36 1.04 0.74 -1.68 113.70 120.74 1f05 s SER 187 Ca 0.08 -3.11 -0.31 0.00 0.48 0.00 0.00 55.95 53.09 1f05 s SER 187 Cb -0.09 -1.33 -0.09 0.00 0.10 0.00 0.00 66.02 64.61 1f05 s SER 187 CO 0.03 -0.20 1.52 -2.84 0.98 0.00 0.00 173.24 172.73 1f05 s PRO 188 N -0.36 4.25 -0.04 4.02 0.02 -1.18 -3.88 135.00 137.83 1f05 s PRO 188 Ca 0.21 2.23 -0.28 0.00 0.02 0.00 0.00 61.00 63.18 1f05 s PRO 188 Cb -0.17 -3.32 -0.03 0.00 0.02 0.00 0.00 34.50 30.99 1f05 s PRO 188 CO -0.06 -0.58 0.89 -0.06 -0.33 0.00 0.00 177.00 176.86 1f05 s PHE 189 N 1.60 3.61 -0.20 6.54 0.40 -1.13 -0.60 117.98 128.19 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 -0.40 -3.03 -0.09 0.00 0.51 0.00 0.00 43.02 40.01 1f05 s PHE 189 CO 0.31 -0.01 -0.24 0.28 0.70 0.00 0.00 175.22 176.25 1f05 n VAL 190 N 3.97 1.50 0.08 -0.44 0.31 0.49 -4.37 118.33 119.88 1f05 n VAL 190 Ca 0.04 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1f05 n VAL 190 Cb 0.51 -2.18 0.44 0.00 -0.91 0.00 0.00 33.84 31.70 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 0.37 2.00 2.92 0.00 -0.39 -1.98 103.07 104.99 1f05 h GLY 191 Ca -0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1f05 h GLY 191 CO -0.15 0.16 -0.07 3.21 0.00 0.00 0.00 176.54 179.70 1f05 h ARG 192 N 0.35 0.00 0.09 4.80 3.08 -1.81 0.15 114.38 121.03 1f05 h ARG 192 Ca 0.09 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.87 1f05 h ARG 192 Cb 0.13 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.19 1f05 h ARG 192 CO -0.00 0.07 -1.14 0.82 -1.07 0.00 0.00 179.97 178.64 1f05 h ILE 193 N 0.00 1.42 -0.23 2.04 2.04 -1.57 -2.47 117.51 118.74 1f05 h ILE 193 Ca -0.00 -2.73 -0.03 0.00 1.00 0.00 0.00 64.86 63.10 1f05 h ILE 193 Cb 0.55 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1f05 h ILE 193 CO 0.01 0.81 0.04 0.25 0.00 0.00 0.00 178.15 179.26 1f05 h LEU 194 N 0.16 0.36 -0.54 1.44 5.85 -1.04 -2.20 115.31 119.35 1f05 h LEU 194 Ca -0.13 -0.26 0.10 0.00 0.84 0.00 0.00 57.88 58.43 1f05 h LEU 194 Cb 1.82 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 42.68 1f05 h LEU 194 CO 0.20 0.53 0.11 0.44 -0.34 0.00 0.00 178.44 179.37 1f05 h ASP 195 N 0.18 0.00 -0.26 1.25 3.32 -0.72 0.25 116.42 120.44 1f05 h ASP 195 Ca 0.07 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1f05 h ASP 195 Cb 0.32 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1f05 h ASP 195 CO 0.00 0.02 0.14 -0.25 -1.72 0.00 0.00 179.24 177.43 1f05 h TRP 196 N 0.25 0.36 -0.02 4.55 7.01 -1.25 -0.21 115.95 126.63 1f05 h TRP 196 Ca 0.28 -0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.18 1f05 h TRP 196 Cb 0.39 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1f05 h TRP 196 CO -0.24 0.31 -0.36 0.45 -2.79 0.00 0.00 178.44 175.81 1f05 h HIS 197 N 0.30 0.05 -0.16 2.65 3.86 -0.77 0.10 115.15 121.19 1f05 h HIS 197 Ca 0.09 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 1f05 h HIS 197 Cb 0.08 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.53 1f05 h HIS 197 CO -0.03 0.41 -0.31 0.28 0.86 0.00 0.00 177.93 179.14 1f05 h VAL 198 N 0.04 1.35 -0.08 2.45 2.07 -0.19 -1.90 116.25 120.00 1f05 h VAL 198 Ca 0.00 -1.55 -0.20 0.00 0.82 0.00 0.00 66.70 65.77 1f05 h VAL 198 Cb 0.66 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1f05 h VAL 198 CO 0.05 0.47 -0.78 0.00 0.02 0.00 0.00 177.57 177.33 1f05 h ALA 199 N 0.57 0.50 0.00 1.67 0.00 -0.87 -3.41 119.26 117.72 1f05 h ALA 199 Ca 0.01 -0.62 -0.20 0.00 0.00 0.00 0.00 54.91 54.10 1f05 h ALA 199 Cb 0.90 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1f05 h ALA 199 CO 0.07 0.75 -1.44 0.09 0.00 0.00 0.00 179.25 178.72 1f05 n ASN 200 N -3.84 1.90 -3.71 0.00 3.02 0.35 -4.97 115.26 108.02 1f05 n ASN 200 Ca -0.05 0.42 -0.30 0.00 -0.03 0.00 0.00 54.58 54.61 1f05 n ASN 200 Cb 0.74 -0.84 0.24 0.00 -0.61 0.00 0.00 39.78 39.31 1f05 n ASN 200 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1f05 s THR 201 N -2.53 1.61 -1.24 3.41 -4.23 -0.71 -4.95 115.64 107.00 1f05 s THR 201 Ca -0.29 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.39 1f05 s THR 201 Cb 0.07 -2.58 0.54 0.00 1.34 0.00 0.00 72.50 71.87 1f05 s THR 201 CO 0.44 0.00 1.46 -0.90 -0.54 0.00 0.00 174.62 175.08 1f05 n ASP 202 N -4.68 3.82 -4.25 3.99 5.75 -1.26 -4.72 116.55 115.19 1f05 n ASP 202 Ca 0.15 -2.21 -0.43 0.00 -0.01 0.00 0.00 54.79 52.29 1f05 n ASP 202 Cb 0.60 -0.43 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 1f05 n ASP 202 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1f05 s LYS 203 N -1.38 2.85 0.00 0.11 2.20 -1.26 -4.93 119.74 117.32 1f05 s LYS 203 Ca 0.40 -1.94 0.13 0.00 -0.36 0.00 0.00 55.97 54.20 1f05 s LYS 203 Cb 0.24 -4.12 0.61 0.00 -1.51 0.00 0.00 37.83 33.05 1f05 s LYS 203 CO 0.23 -1.25 1.42 1.63 -0.36 0.00 0.00 175.35 177.02 1f05 n LYS 204 N 4.72 1.31 -3.81 4.03 4.76 -1.26 -4.41 118.16 123.50 1f05 n LYS 204 Ca -0.04 -0.47 -0.12 0.00 -2.87 0.00 0.00 58.31 54.80 1f05 n LYS 204 Cb 0.41 -1.24 -0.10 0.00 -1.84 0.00 0.00 35.03 32.27 1f05 n LYS 204 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1f05 s SER 205 N -1.33 -0.11 -0.03 4.39 0.15 -1.26 -4.95 113.70 110.55 1f05 s SER 205 Ca 0.21 0.02 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 1f05 s SER 205 Cb 0.11 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.72 1f05 s SER 205 CO 0.16 -0.36 0.14 -0.31 1.20 0.00 0.00 173.24 174.07 1f05 s TYR 206 N -1.13 -0.07 0.31 3.44 1.51 -1.26 -5.05 117.35 115.10 1f05 s TYR 206 Ca -0.12 0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.80 1f05 s TYR 206 Cb -0.06 0.00 -0.10 0.00 -0.11 0.00 0.00 41.96 41.70 1f05 s TYR 206 CO 0.03 -0.17 1.23 -1.21 -1.11 0.00 0.00 175.55 174.31 1f05 s GLU 207 N -0.60 4.47 0.20 -0.62 0.41 -1.26 -4.68 118.70 116.61 1f05 s GLU 207 Ca -0.07 2.06 -0.07 0.00 -0.41 0.00 0.00 54.97 56.48 1f05 s GLU 207 Cb -0.04 -3.12 0.31 0.00 -1.78 0.00 0.00 34.13 29.50 1f05 s GLU 207 CO 0.01 -0.03 1.11 -2.30 -0.49 0.00 0.00 175.26 173.56 1f05 n PRO 208 N 0.96 -0.08 0.28 0.39 -0.02 -1.26 0.23 135.00 135.49 1f05 n PRO 208 Ca -0.00 1.11 0.17 0.00 -2.02 0.00 0.00 63.50 62.76 1f05 n PRO 208 Cb 0.43 -1.66 0.71 0.00 -0.02 0.00 0.00 33.50 32.95 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 0.00 2.45 -0.00 -1.89 -2.80 115.31 113.07 1f05 h LEU 209 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.21 1f05 h LEU 209 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 1f05 h LEU 209 CO -0.73 0.03 -0.79 -0.62 -0.00 0.00 0.00 178.44 176.33 1f05 n GLU 210 N -3.14 0.01 -1.68 1.13 -0.58 0.62 -4.67 120.64 112.32 1f05 n GLU 210 Ca 0.00 -0.00 -0.51 0.00 -0.42 0.00 0.00 57.16 56.23 1f05 n GLU 210 Cb 0.30 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.51 2.95 -0.35 1.62 -0.08 -0.14 -4.79 116.55 114.25 1f05 n ASP 211 Ca 0.05 1.03 0.12 0.00 -1.51 0.00 0.00 54.79 54.47 1f05 n ASP 211 Cb 0.34 -1.30 0.31 0.00 2.34 0.00 0.00 41.12 42.80 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 7.84 0.74 -0.32 -0.67 0.11 -1.91 0.02 132.00 137.81 1f05 h PRO 212 Ca -0.47 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1f05 h PRO 212 Cb 1.29 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1f05 h PRO 212 CO 0.93 0.49 0.09 0.78 -0.21 0.00 0.00 178.00 180.08 1f05 h GLY 213 N 0.76 0.53 1.24 -0.55 0.00 -1.86 -1.16 103.07 102.04 1f05 h GLY 213 Ca 0.56 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1f05 h GLY 213 CO -0.38 0.30 0.41 -2.08 0.00 0.00 0.00 176.54 174.79 1f05 h VAL 214 N 0.36 1.21 -0.44 4.60 2.07 -1.38 -2.25 116.25 120.42 1f05 h VAL 214 Ca 0.10 -0.51 -0.14 0.00 0.82 0.00 0.00 66.70 66.98 1f05 h VAL 214 Cb 0.26 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1f05 h VAL 214 CO -0.00 0.23 -0.26 0.11 0.02 0.00 0.00 177.57 177.67 1f05 h LYS 215 N 1.01 0.93 -0.37 1.57 1.57 -0.78 0.52 116.57 121.02 1f05 h LYS 215 Ca 0.26 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1f05 h LYS 215 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1f05 h LYS 215 CO -0.04 1.07 0.23 0.77 -0.57 0.00 0.00 179.45 180.91 1f05 h SER 216 N 0.79 0.44 -0.12 0.86 0.02 -0.82 0.47 113.55 115.19 1f05 h SER 216 Ca 0.09 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1f05 h SER 216 Cb 0.83 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 1f05 h SER 216 CO 0.07 0.36 -0.40 0.58 -1.14 0.00 0.00 176.83 176.30 1f05 h VAL 217 N 0.48 1.29 -0.16 2.27 2.07 -1.32 -1.06 116.25 119.83 1f05 h VAL 217 Ca 0.13 -1.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1f05 h VAL 217 Cb -0.00 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1f05 h VAL 217 CO -0.03 0.50 0.07 0.74 0.02 0.00 0.00 177.57 178.87 1f05 h THR 218 N 0.54 1.15 -0.05 2.57 2.02 -0.60 0.66 112.91 119.20 1f05 h THR 218 Ca 0.05 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.79 1f05 h THR 218 Cb 0.92 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1f05 h THR 218 CO 0.08 0.14 -0.03 0.50 0.37 0.00 0.00 175.52 176.59 1f05 h LYS 219 N 0.11 -0.02 -0.58 6.66 3.64 -0.81 -1.02 116.57 124.54 1f05 h LYS 219 Ca 0.05 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1f05 h LYS 219 Cb 0.16 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 1f05 h LYS 219 CO -0.00 -0.02 0.34 0.82 -2.27 0.00 0.00 179.45 178.32 1f05 h ILE 220 N -0.03 1.03 -0.51 2.00 2.04 -1.03 -0.85 117.51 120.15 1f05 h ILE 220 Ca 0.03 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1f05 h ILE 220 Cb 0.07 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1f05 h ILE 220 CO -0.06 0.12 0.34 0.22 0.00 0.00 0.00 178.15 178.77 1f05 h TYR 221 N 0.66 0.64 -0.59 1.37 3.20 -0.52 -0.72 116.97 121.02 1f05 h TYR 221 Ca 0.24 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 1f05 h TYR 221 Cb 0.07 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1f05 h TYR 221 CO -0.07 0.40 0.05 -0.91 -1.64 0.00 0.00 178.16 176.00 1f05 h ASN 222 N 0.69 0.94 -0.14 -2.11 2.35 -0.69 -1.16 115.58 115.46 1f05 h ASN 222 Ca 0.19 -0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1f05 h ASN 222 Cb -0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.04 1f05 h ASN 222 CO -0.04 0.96 0.05 0.22 -1.65 0.00 0.00 177.43 176.97 1f05 h TYR 223 N 0.91 0.22 0.09 1.19 3.20 -0.79 0.13 116.97 121.93 1f05 h TYR 223 Ca 0.18 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1f05 h TYR 223 Cb 0.46 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1f05 h TYR 223 CO 0.03 0.32 -0.10 1.88 -1.64 0.00 0.00 178.16 178.64 1f05 h TYR 224 N 0.07 -0.27 -0.26 -3.82 -1.99 -0.93 -2.41 116.97 107.36 1f05 h TYR 224 Ca 0.05 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 1f05 h TYR 224 Cb 0.19 0.11 -0.01 0.00 2.00 0.00 0.00 36.73 39.02 1f05 h TYR 224 CO -0.01 -0.16 -0.08 0.87 -0.00 0.00 0.00 178.16 178.78 1f05 h LYS 225 N -0.22 0.51 -0.54 4.88 1.79 -1.18 -0.20 116.57 121.60 1f05 h LYS 225 Ca 0.01 -0.20 0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1f05 h LYS 225 Cb 0.22 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.82 1f05 h LYS 225 CO -0.04 0.74 0.36 -0.22 -1.08 0.00 0.00 179.45 179.21 1f05 h LYS 226 N 0.25 0.37 -0.37 3.15 3.64 -0.69 -2.12 116.57 120.80 1f05 h LYS 226 Ca 0.06 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1f05 h LYS 226 Cb 0.55 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1f05 h LYS 226 CO 0.03 0.24 0.00 1.19 -2.27 0.00 0.00 179.45 178.64 1f05 n PHE 227 N -4.47 1.19 -3.15 1.91 3.01 -0.91 -4.97 117.46 110.08 1f05 n PHE 227 Ca 0.08 -0.78 -0.23 0.00 1.01 0.00 0.00 57.45 57.53 1f05 n PHE 227 Cb 0.34 -0.32 0.04 0.00 -0.01 0.00 0.00 39.48 39.52 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 -0.00 -5.92 -4.74 4.37 7.64 -0.80 -4.98 113.62 109.19 1f05 n SER 228 Ca 0.22 -0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.36 1f05 n SER 228 Cb 0.91 -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 -3.18 3.83 -2.15 1.43 2.02 -0.15 -4.93 117.35 114.23 1f05 s TYR 229 Ca 0.36 1.74 0.17 0.00 -0.37 0.00 0.00 57.07 58.96 1f05 s TYR 229 Cb -0.16 -2.97 0.64 0.00 -0.40 0.00 0.00 41.96 39.07 1f05 s TYR 229 CO 0.44 0.29 1.46 1.63 -1.57 0.00 0.00 175.55 177.80 1f05 n LYS 230 N 2.48 1.62 -2.19 -0.62 4.76 -1.26 -4.66 118.16 118.30 1f05 n LYS 230 Ca -0.00 -0.95 -0.41 0.00 -2.87 0.00 0.00 58.31 54.08 1f05 n LYS 230 Cb 0.49 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.32 1f05 n LYS 230 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1f05 s THR 231 N -1.76 2.97 -0.03 -0.18 2.01 -1.26 -4.97 115.64 112.43 1f05 s THR 231 Ca 0.28 0.91 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 1f05 s THR 231 Cb 0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 1f05 s THR 231 CO 0.22 0.19 0.90 -0.63 -0.69 0.00 0.00 174.62 174.61 1f05 s ILE 232 N -0.70 4.91 -0.31 1.82 1.01 0.19 -4.94 121.20 123.18 1f05 s ILE 232 Ca 0.51 1.88 -0.16 0.00 0.00 0.00 0.00 60.65 62.87 1f05 s ILE 232 Cb -0.38 -4.24 -0.02 0.00 0.01 0.00 0.00 42.46 37.84 1f05 s ILE 232 CO 0.46 0.17 0.44 -0.69 0.00 0.00 0.00 174.94 175.31 1f05 s VAL 233 N 1.08 5.11 -0.30 2.92 1.01 -1.26 -1.12 120.40 127.83 1f05 s VAL 233 Ca 0.47 0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.87 1f05 s VAL 233 Cb -0.20 -3.83 0.09 0.00 0.00 0.00 0.00 36.38 32.44 1f05 s VAL 233 CO 0.24 -0.04 0.04 -0.32 0.00 0.00 0.00 175.10 175.02 1f05 s MET 234 N 2.20 1.21 0.53 2.72 0.00 -0.68 -1.97 119.30 123.31 1f05 s MET 234 Ca 0.16 -1.32 -0.22 0.00 0.00 0.00 0.00 55.69 54.31 1f05 s MET 234 Cb -0.16 -2.56 -0.05 0.00 0.00 0.00 0.00 34.83 32.06 1f05 s MET 234 CO 0.11 -0.86 1.37 0.20 0.00 0.00 0.00 175.02 175.84 1f05 s GLY 235 N 1.32 2.89 0.21 2.11 0.00 -0.96 -3.08 107.32 109.82 1f05 s GLY 235 Ca 0.06 1.35 -0.06 0.00 0.00 0.00 0.00 44.72 46.08 1f05 s GLY 235 CO -0.14 1.89 0.26 0.00 0.00 0.00 0.00 173.10 175.10 1f05 s ALA 236 N -1.29 0.57 -0.10 3.20 0.00 0.23 -1.82 121.76 122.55 1f05 s ALA 236 Ca 0.70 -1.34 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 1f05 s ALA 236 Cb -0.41 1.21 0.02 0.00 0.00 0.00 0.00 23.12 23.93 1f05 s ALA 236 CO 0.49 -0.68 0.09 0.43 0.00 0.00 0.00 175.76 176.09 1f05 n SER 237 N -0.29 -4.93 -4.43 0.00 7.64 -1.26 -0.38 113.62 109.98 1f05 n SER 237 Ca -0.00 1.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 1f05 n SER 237 Cb 0.64 -3.26 -0.13 0.00 -1.01 0.00 0.00 64.21 60.45 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 -0.52 2.44 -0.14 1.43 0.08 -1.26 0.24 117.98 120.25 1f05 s PHE 238 Ca -0.11 -0.32 0.19 0.00 0.12 0.00 0.00 56.93 56.81 1f05 s PHE 238 Cb 0.01 -1.36 -0.26 0.00 -0.57 0.00 0.00 43.02 40.84 1f05 s PHE 238 CO 0.37 0.29 0.28 0.54 -0.10 0.00 0.00 175.22 176.60 1f05 n ARG 239 N 1.22 0.67 -3.99 0.44 5.12 -1.26 -4.87 116.66 114.00 1f05 n ARG 239 Ca -0.17 -0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.64 1f05 n ARG 239 Cb 0.52 -1.57 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 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 -5.32 0.22 0.20 0.55 2.20 -1.26 -5.05 114.94 106.48 1f05 s ASN 240 Ca -0.08 -1.12 0.25 0.00 -0.94 0.00 0.00 52.86 50.97 1f05 s ASN 240 Cb 0.08 0.66 0.52 0.00 -2.00 0.00 0.00 41.25 40.51 1f05 s ASN 240 CO 0.85 -1.28 1.53 0.71 -2.94 0.00 0.00 177.10 175.96 1f05 h THR 241 N 2.16 0.00 -0.66 0.54 1.35 -1.96 -3.26 112.91 111.08 1f05 h THR 241 Ca -0.27 -0.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.96 1f05 h THR 241 Cb 1.25 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 1f05 h THR 241 CO 0.37 0.00 0.23 1.23 -0.25 0.00 0.00 175.52 177.10 1f05 h GLY 242 N 4.42 1.09 1.04 5.82 0.00 -1.99 0.04 103.07 113.48 1f05 h GLY 242 Ca 0.00 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1f05 h GLY 242 CO 0.00 0.59 0.42 0.83 0.00 0.00 0.00 176.54 178.38 1f05 h GLU 243 N 0.96 1.24 -0.15 4.80 5.08 -1.86 -0.78 114.58 123.86 1f05 h GLU 243 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1f05 h GLU 243 Cb 0.26 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1f05 h GLU 243 CO -0.01 0.94 0.05 0.82 -1.00 0.00 0.00 179.01 179.81 1f05 h ILE 244 N 1.23 1.16 -0.28 3.13 2.04 -1.52 -2.87 117.51 120.39 1f05 h ILE 244 Ca 0.30 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1f05 h ILE 244 Cb 0.10 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1f05 h ILE 244 CO -0.04 0.15 -0.05 0.11 0.00 0.00 0.00 178.15 178.32 1f05 h LYS 245 N 0.07 0.45 0.00 2.37 1.57 -0.73 -1.26 116.57 119.05 1f05 h LYS 245 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1f05 h LYS 245 Cb 0.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1f05 h LYS 245 CO -0.00 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.40 1f05 n ALA 246 N -2.48 1.97 -0.01 3.86 0.00 -0.32 -2.03 120.51 121.49 1f05 n ALA 246 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1f05 n ALA 246 Cb 0.26 -1.29 0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.27 2.02 -4.66 0.00 4.77 -0.50 -4.81 117.00 112.54 1f05 n LEU 247 Ca 0.09 -1.84 -0.46 0.00 -0.03 0.00 0.00 56.01 53.76 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 0.13 0.50 1.08 0.00 -1.33 0.00 0.00 177.39 177.78 1f05 n ALA 248 N -0.23 0.93 0.00 -1.18 0.00 -0.86 -1.21 120.51 117.96 1f05 n ALA 248 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1f05 n ALA 248 Cb 0.25 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 2.86 2.37 3.74 0.00 0.00 -1.25 -0.56 105.19 112.35 1f05 n GLY 249 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 0.45 -1.43 -4.74 0.00 3.32 -1.86 -3.39 116.42 108.76 1f05 h ASP 251 Ca -0.50 0.18 -0.21 0.00 0.02 0.00 0.00 57.03 56.53 1f05 h ASP 251 Cb 1.30 0.58 -0.16 0.00 0.22 0.00 0.00 39.33 41.27 1f05 h ASP 251 CO 0.53 -0.44 -0.70 -0.36 -1.72 0.00 0.00 179.24 176.55 1f05 s PHE 252 N -5.84 0.78 -0.18 4.55 0.40 -0.83 -1.32 117.98 115.53 1f05 s PHE 252 Ca -0.15 -0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 55.27 1f05 s PHE 252 Cb 0.09 -0.47 0.09 0.00 0.51 0.00 0.00 43.02 43.24 1f05 s PHE 252 CO 0.64 -0.18 0.28 -0.51 0.70 0.00 0.00 175.22 176.14 1f05 s LEU 253 N -2.74 -0.31 -0.24 -0.37 1.43 -0.83 -2.25 118.68 113.37 1f05 s LEU 253 Ca 0.07 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.26 1f05 s LEU 253 Cb 0.03 0.69 -0.03 0.00 0.03 0.00 0.00 46.19 46.91 1f05 s LEU 253 CO -0.05 -0.28 0.52 0.28 0.23 0.00 0.00 176.35 177.06 1f05 s THR 254 N 2.42 5.08 0.10 5.49 -1.32 -0.76 -1.40 115.64 125.26 1f05 s THR 254 Ca 0.05 0.92 0.10 0.00 -1.21 0.00 0.00 61.69 61.56 1f05 s THR 254 Cb -0.14 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 66.98 1f05 s THR 254 CO -0.11 0.12 -0.26 -0.63 -2.21 0.00 0.00 174.62 171.52 1f05 s ILE 255 N 2.04 2.25 0.77 5.08 1.01 0.95 -4.29 121.20 129.01 1f05 s ILE 255 Ca 0.23 -1.63 -0.11 0.00 0.00 0.00 0.00 60.65 59.14 1f05 s ILE 255 Cb -0.15 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.41 1f05 s ILE 255 CO 0.09 0.18 1.09 -0.94 0.00 0.00 0.00 174.94 175.37 1f05 s SER 256 N -1.79 4.50 0.28 3.58 1.04 -1.26 -0.48 113.70 119.56 1f05 s SER 256 Ca 0.13 1.85 -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 63.87 1f05 s SER 256 CO 0.05 -2.04 1.92 -0.65 0.98 0.00 0.00 173.24 173.50 1f05 h PRO 257 N -1.07 1.11 -0.10 4.02 0.11 -1.97 -0.55 132.00 133.54 1f05 h PRO 257 Ca -0.44 -0.10 0.03 0.00 0.11 0.00 0.00 66.00 65.60 1f05 h PRO 257 Cb 1.23 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1f05 h PRO 257 CO 0.51 0.78 -0.07 -0.22 -0.21 0.00 0.00 178.00 178.79 1f05 h LYS 258 N 1.13 -0.07 -0.03 1.05 3.64 -1.96 -0.10 116.57 120.23 1f05 h LYS 258 Ca 0.29 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.51 1f05 h LYS 258 Cb -0.04 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1f05 h LYS 258 CO -0.05 -0.04 -0.75 -0.07 -2.27 0.00 0.00 179.45 176.26 1f05 h LEU 259 N -0.07 0.24 -0.53 5.20 3.38 -1.88 -2.59 115.31 119.07 1f05 h LEU 259 Ca 0.06 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.89 1f05 h LEU 259 Cb 0.16 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1f05 h LEU 259 CO -0.15 0.90 0.31 -0.07 0.09 0.00 0.00 178.44 179.53 1f05 h LEU 260 N 0.13 0.50 -1.25 1.67 3.38 -0.83 -0.13 115.31 118.77 1f05 h LEU 260 Ca -0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1f05 h LEU 260 Cb 1.31 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1f05 h LEU 260 CO 0.11 0.35 0.52 1.23 0.09 0.00 0.00 178.44 180.74 1f05 h GLY 261 N 0.61 1.12 1.32 0.83 0.00 -0.82 -0.44 103.07 105.70 1f05 h GLY 261 Ca 0.22 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 47.01 1f05 h GLY 261 CO -0.10 0.33 -0.45 0.83 0.00 0.00 0.00 176.54 177.15 1f05 h GLU 262 N 0.97 0.73 0.00 4.80 5.08 -0.92 -2.06 114.58 123.19 1f05 h GLU 262 Ca 0.32 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1f05 h GLU 262 Cb 0.05 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1f05 h GLU 262 CO -0.09 1.03 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.71 1f05 h LEU 263 N 0.59 0.00 0.00 1.33 3.38 -0.22 -2.08 115.31 118.31 1f05 h LEU 263 Ca 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1f05 h LEU 263 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1f05 h LEU 263 CO 0.10 0.16 -0.75 0.25 0.09 0.00 0.00 178.44 178.29 1f05 h LEU 264 N 0.00 0.00 0.03 1.67 5.85 -0.83 0.46 115.31 122.49 1f05 h LEU 264 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1f05 h LEU 264 Cb 0.60 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.64 1f05 h LEU 264 CO 0.02 0.47 -0.34 1.56 -0.34 0.00 0.00 178.44 179.81 1f05 h GLN 265 N 0.00 0.17 -6.77 1.25 4.20 -0.70 -3.45 115.11 109.81 1f05 h GLN 265 Ca -0.05 -0.23 -0.49 0.00 0.06 0.00 0.00 58.65 57.94 1f05 h GLN 265 Cb 1.40 0.08 0.02 0.00 0.30 0.00 0.00 27.48 29.27 1f05 h GLN 265 CO 0.05 1.02 0.01 0.16 -0.67 0.00 0.00 178.83 179.41 1f05 s ASP 266 N -6.46 6.33 -0.13 1.46 -4.77 -0.96 -4.97 116.67 107.17 1f05 s ASP 266 Ca -0.16 0.82 0.23 0.00 -3.30 0.00 0.00 52.55 50.15 1f05 s ASP 266 Cb 0.00 -2.20 0.46 0.00 -1.09 0.00 0.00 42.92 40.10 1f05 s ASP 266 CO 0.75 -0.44 1.15 -0.46 0.70 0.00 0.00 175.17 176.88 1f05 n ASN 267 N -1.83 1.44 -4.66 2.11 0.23 -1.26 -0.91 115.26 110.38 1f05 n ASN 267 Ca -0.01 -2.20 -0.30 0.00 -0.53 0.00 0.00 54.58 51.55 1f05 n ASN 267 Cb 0.55 -0.39 0.17 0.00 -2.08 0.00 0.00 39.78 38.03 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 -1.85 1.12 -0.00 -2.53 0.00 -1.26 -4.82 121.76 112.42 1f05 s ALA 268 Ca 0.32 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 1f05 s ALA 268 Cb 0.36 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 20.18 1f05 s ALA 268 CO -0.10 -2.73 1.36 0.21 0.00 0.00 0.00 175.76 174.49 1f05 s LYS 269 N -4.78 4.30 -0.21 0.00 2.47 -1.26 -4.70 119.74 115.56 1f05 s LYS 269 Ca 0.65 1.91 -0.09 0.00 -1.56 0.00 0.00 55.97 56.88 1f05 s LYS 269 Cb -0.20 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1f05 s LYS 269 CO 0.59 -0.54 0.11 -1.17 0.16 0.00 0.00 175.35 174.50 1f05 s LEU 270 N 2.27 4.00 -0.15 5.43 2.96 -1.26 -5.09 118.68 126.84 1f05 s LEU 270 Ca 0.62 0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1f05 s LEU 270 Cb -0.30 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1f05 s LEU 270 CO 0.26 0.13 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.73 1f05 s VAL 271 N 0.65 4.22 0.50 1.68 1.01 -1.26 -5.03 120.40 122.17 1f05 s VAL 271 Ca 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 61.98 61.57 1f05 s VAL 271 Cb -0.12 -2.85 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 1f05 s VAL 271 CO 0.01 0.51 1.27 -2.84 0.00 0.00 0.00 175.10 174.05 1f05 s PRO 272 N 0.07 3.45 0.00 2.72 0.02 -1.26 -4.78 135.00 135.22 1f05 s PRO 272 Ca 0.02 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1f05 s PRO 272 Cb -0.13 -2.34 0.00 0.00 0.02 0.00 0.00 34.50 32.05 1f05 s PRO 272 CO 0.02 -0.88 0.00 0.28 -0.33 0.00 0.00 177.00 176.09 1f05 n VAL 273 N -0.75 0.00 -4.00 3.83 0.31 0.28 -5.00 118.33 113.00 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 -0.53 -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 -4.83 4.15 0.10 7.52 1.43 -0.55 -5.01 118.68 121.49 1f05 s LEU 274 Ca 0.00 0.28 -0.25 0.00 -1.03 0.00 0.00 54.13 53.13 1f05 s LEU 274 Cb 0.00 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.96 1f05 s LEU 274 CO 0.00 0.30 0.75 -0.94 0.23 0.00 0.00 176.35 176.69 1f05 s SER 275 N -1.64 -0.44 0.50 2.29 1.04 -1.26 -4.41 113.70 109.77 1f05 s SER 275 Ca 0.23 -0.07 0.24 0.00 0.48 0.00 0.00 55.95 56.83 1f05 s SER 275 Cb -0.12 0.51 1.30 0.00 0.10 0.00 0.00 66.02 67.81 1f05 s SER 275 CO 0.13 -0.84 2.03 0.00 0.98 0.00 0.00 173.24 175.54 1f05 h ALA 276 N 2.00 1.35 0.10 5.32 0.00 -1.98 -1.82 119.26 124.23 1f05 h ALA 276 Ca -0.27 -0.14 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 1f05 h ALA 276 Cb 1.27 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.06 1f05 h ALA 276 CO 0.33 0.19 -1.16 0.87 0.00 0.00 0.00 179.25 179.49 1f05 h LYS 277 N 0.00 0.61 -0.36 0.00 1.57 -1.99 -2.59 116.57 113.82 1f05 h LYS 277 Ca -0.00 -0.79 -0.17 0.00 -1.87 0.00 0.00 60.65 57.82 1f05 h LYS 277 Cb 0.37 0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1f05 h LYS 277 CO 0.02 1.35 -0.42 0.00 -0.57 0.00 0.00 179.45 179.83 1f05 h ALA 278 N 0.29 0.56 -0.40 3.86 0.00 -1.91 -2.90 119.26 118.76 1f05 h ALA 278 Ca -0.17 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 1f05 h ALA 278 Cb 1.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1f05 h ALA 278 CO 0.22 0.68 0.17 0.00 0.00 0.00 0.00 179.25 180.32 1f05 h ALA 279 N 0.77 1.55 0.00 0.00 0.00 -1.42 -1.20 119.26 118.95 1f05 h ALA 279 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1f05 h ALA 279 Cb 1.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1f05 h ALA 279 CO 0.10 0.36 0.00 1.96 0.00 0.00 0.00 179.25 181.67 1f05 h GLN 280 N 0.56 0.00 0.00 0.00 4.20 -1.26 -2.92 115.11 115.69 1f05 h GLN 280 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1f05 h GLN 280 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1f05 h GLN 280 CO -0.02 0.00 -0.95 0.00 -0.67 0.00 0.00 178.83 177.19 1f05 n ALA 281 N -1.94 4.58 -1.45 3.87 0.00 -0.50 -4.96 120.51 120.11 1f05 n ALA 281 Ca 0.02 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.56 1f05 n ALA 281 Cb 0.30 -0.81 0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 -3.03 4.88 -0.18 0.00 1.04 -0.90 -4.94 113.70 110.56 1f05 s SER 282 Ca 0.08 2.03 0.04 0.00 0.48 0.00 0.00 55.95 58.58 1f05 s SER 282 Cb 0.16 -2.55 0.34 0.00 0.10 0.00 0.00 66.02 64.07 1f05 s SER 282 CO 0.85 -1.79 1.32 -0.90 0.98 0.00 0.00 173.24 173.70 1f05 n ASP 283 N -2.61 3.33 -4.76 7.02 3.85 -1.26 -4.96 116.55 117.16 1f05 n ASP 283 Ca 0.11 -2.66 -0.40 0.00 -0.71 0.00 0.00 54.79 51.13 1f05 n ASP 283 Cb 0.52 -0.64 -0.05 0.00 -1.35 0.00 0.00 41.12 39.60 1f05 n ASP 283 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1f05 s LEU 284 N -1.49 4.58 -0.09 -2.12 1.43 -1.26 -5.05 118.68 114.68 1f05 s LEU 284 Ca 0.27 2.18 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 1f05 s LEU 284 Cb 0.22 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1f05 s LEU 284 CO 0.06 -0.07 -0.01 -1.61 0.23 0.00 0.00 176.35 174.95 1f05 s GLU 285 N -1.34 3.00 0.38 1.70 2.02 -1.26 -5.08 118.70 118.12 1f05 s GLU 285 Ca 0.44 -0.43 -0.27 0.00 0.02 0.00 0.00 54.97 54.73 1f05 s GLU 285 Cb -0.30 -2.78 -0.09 0.00 0.10 0.00 0.00 34.13 31.06 1f05 s GLU 285 CO 0.39 0.67 1.30 0.21 0.02 0.00 0.00 175.26 177.84 1f05 s LYS 286 N -0.78 4.11 0.03 1.61 2.20 -1.26 -5.03 119.74 120.61 1f05 s LYS 286 Ca 0.12 2.17 -0.02 0.00 -0.36 0.00 0.00 55.97 57.88 1f05 s LYS 286 Cb -0.11 -2.86 -0.02 0.00 -1.51 0.00 0.00 37.83 33.32 1f05 s LYS 286 CO 0.02 -0.38 0.02 0.96 -0.36 0.00 0.00 175.35 175.61 1f05 s ILE 287 N -1.23 0.14 -0.05 5.43 -4.36 -1.26 -5.16 121.20 114.72 1f05 s ILE 287 Ca 0.54 -1.18 0.04 0.00 -0.26 0.00 0.00 60.65 59.79 1f05 s ILE 287 Cb -0.38 -0.78 -0.02 0.00 1.25 0.00 0.00 42.46 42.52 1f05 s ILE 287 CO 0.50 -0.65 -0.16 -2.28 0.24 0.00 0.00 174.94 172.59 1f05 s HIS 288 N -2.42 2.65 -0.10 1.37 5.65 -1.26 -5.06 115.29 116.10 1f05 s HIS 288 Ca -0.07 -0.24 0.00 0.00 0.25 0.00 0.00 55.06 55.00 1f05 s HIS 288 Cb -0.03 -1.62 0.02 0.00 -1.18 0.00 0.00 32.58 29.77 1f05 s HIS 288 CO -0.04 0.12 -0.09 -0.51 -0.65 0.00 0.00 174.74 173.56 1f05 s LEU 289 N -0.63 1.35 0.00 8.88 1.43 -1.26 -4.99 118.68 123.46 1f05 s LEU 289 Ca 0.09 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1f05 s LEU 289 Cb -0.11 -0.87 0.05 0.00 0.03 0.00 0.00 46.19 45.29 1f05 s LEU 289 CO 0.01 -0.07 0.35 -0.90 0.23 0.00 0.00 176.35 175.96 1f05 n ASP 290 N 4.64 0.56 -0.08 2.29 5.68 -1.26 -4.80 116.55 123.59 1f05 n ASP 290 Ca -0.16 -1.45 -0.08 0.00 -0.50 0.00 0.00 54.79 52.60 1f05 n ASP 290 Cb 0.50 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 0.23 0.22 0.11 4.81 -2.00 -1.13 114.58 116.83 1f05 h GLU 291 Ca -0.12 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1f05 h GLU 291 Cb 0.45 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1f05 h GLU 291 CO 0.13 0.15 -0.39 0.87 -0.73 0.00 0.00 179.01 179.05 1f05 h LYS 292 N 0.24 -0.66 -0.80 1.92 1.57 -1.99 -0.16 116.57 116.68 1f05 h LYS 292 Ca 0.13 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1f05 h LYS 292 Cb 0.09 0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.51 1f05 h LYS 292 CO -0.13 -0.44 0.51 0.77 -0.57 0.00 0.00 179.45 179.60 1f05 h SER 293 N -0.69 0.94 0.49 0.86 0.02 -1.93 -1.77 113.55 111.48 1f05 h SER 293 Ca 0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1f05 h SER 293 Cb 0.67 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 1f05 h SER 293 CO -0.16 0.70 -0.41 0.15 -1.14 0.00 0.00 176.83 175.97 1f05 h PHE 294 N 1.09 -1.10 -0.32 3.45 3.57 -0.77 0.16 116.94 123.02 1f05 h PHE 294 Ca 0.29 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1f05 h PHE 294 Cb -0.09 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1f05 h PHE 294 CO -0.01 -0.58 0.22 0.00 -2.23 0.00 0.00 178.31 175.71 1f05 h ARG 295 N -0.89 0.25 0.11 1.11 3.08 -0.88 0.15 114.38 117.32 1f05 h ARG 295 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1f05 h ARG 295 Cb 0.76 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1f05 h ARG 295 CO -0.02 0.17 -0.05 2.35 -1.07 0.00 0.00 179.97 181.35 1f05 h TRP 296 N 0.26 -0.14 -0.60 3.04 2.91 -0.90 -1.64 115.95 118.88 1f05 h TRP 296 Ca 0.14 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.21 1f05 h TRP 296 Cb 0.23 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 1f05 h TRP 296 CO -0.00 0.35 0.40 1.25 -1.03 0.00 0.00 178.44 179.41 1f05 h LEU 297 N -0.83 0.53 -0.20 0.65 5.85 -0.24 -1.48 115.31 119.60 1f05 h LEU 297 Ca -0.02 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1f05 h LEU 297 Cb 0.56 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1f05 h LEU 297 CO 0.03 0.35 -0.19 -0.74 -0.34 0.00 0.00 178.44 177.55 1f05 h HIS 298 N 0.61 0.58 0.00 1.25 2.76 -0.75 -3.06 115.15 116.54 1f05 h HIS 298 Ca 0.25 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1f05 h HIS 298 Cb 0.23 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 1f05 h HIS 298 CO -0.00 0.84 -0.04 -0.97 -1.30 0.00 0.00 177.93 176.45 1f05 h ASN 299 N 0.16 0.00 0.65 3.26 -0.73 -0.29 -0.06 115.58 118.56 1f05 h ASN 299 Ca 0.03 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1f05 h ASN 299 Cb 0.73 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.32 1f05 h ASN 299 CO 0.05 0.04 0.00 -0.62 -0.37 0.00 0.00 177.43 176.53 1f05 n GLU 300 N -3.83 0.15 -3.50 6.67 -0.58 -0.80 -4.16 120.64 114.58 1f05 n GLU 300 Ca -0.03 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.68 1f05 n GLU 300 Cb 0.13 -1.78 -0.06 0.00 -0.57 0.00 0.00 31.44 29.17 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 -3.93 6.06 0.15 1.62 -1.08 -0.04 -4.95 116.67 114.50 1f05 s ASP 301 Ca 0.05 -2.69 -0.18 0.00 -0.52 0.00 0.00 52.55 49.20 1f05 s ASP 301 Cb 0.09 -2.05 0.04 0.00 -1.46 0.00 0.00 42.92 39.54 1f05 s ASP 301 CO 0.35 -0.50 1.69 -0.61 0.52 0.00 0.00 175.17 176.62 1f05 h GLN 302 N 7.54 0.02 -0.49 4.34 4.15 -1.81 -0.17 115.11 128.70 1f05 h GLN 302 Ca 0.03 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.54 1f05 h GLN 302 Cb 1.01 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.62 1f05 h GLN 302 CO 0.75 0.01 0.04 1.98 -1.93 0.00 0.00 178.83 179.68 1f05 h MET 303 N 0.02 0.15 -0.60 1.69 4.05 -1.95 0.15 114.93 118.44 1f05 h MET 303 Ca 0.15 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.51 1f05 h MET 303 Cb 0.22 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1f05 h MET 303 CO -0.30 0.10 0.20 0.00 0.23 0.00 0.00 176.91 177.14 1f05 h ALA 304 N 1.42 0.78 -0.28 0.39 0.00 -1.68 0.18 119.26 120.06 1f05 h ALA 304 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1f05 h ALA 304 Cb 0.36 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1f05 h ALA 304 CO -0.38 0.43 0.18 0.28 0.00 0.00 0.00 179.25 179.77 1f05 h VAL 305 N 0.85 1.08 -0.08 0.00 2.07 -0.39 -0.70 116.25 119.07 1f05 h VAL 305 Ca 0.20 -0.17 -0.20 0.00 0.82 0.00 0.00 66.70 67.34 1f05 h VAL 305 Cb 0.26 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1f05 h VAL 305 CO -0.01 0.08 -0.77 -0.33 0.02 0.00 0.00 177.57 176.57 1f05 h GLU 306 N 0.37 0.48 0.00 1.57 5.08 -0.72 -2.49 114.58 118.86 1f05 h GLU 306 Ca 0.10 -0.41 -0.27 0.00 -1.00 0.00 0.00 59.36 57.79 1f05 h GLU 306 Cb -0.02 0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.34 1f05 h GLU 306 CO -0.02 1.04 -1.05 0.87 -1.00 0.00 0.00 179.01 178.85 1f05 h LYS 307 N 0.32 0.70 -0.26 2.33 1.79 -0.61 -0.81 116.57 120.03 1f05 h LYS 307 Ca -0.04 -0.75 -0.01 0.00 -2.18 0.00 0.00 60.65 57.67 1f05 h LYS 307 Cb 1.36 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 32.21 1f05 h LYS 307 CO 0.14 1.33 0.13 1.25 -1.08 0.00 0.00 179.45 181.21 1f05 h LEU 308 N 0.39 0.33 -0.16 2.94 5.85 -1.20 0.35 115.31 123.80 1f05 h LEU 308 Ca -0.13 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1f05 h LEU 308 Cb 1.70 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1f05 h LEU 308 CO 0.21 0.34 0.11 -1.28 -0.34 0.00 0.00 178.44 177.47 1f05 h SER 309 N 0.29 0.18 0.35 1.25 0.87 -1.45 -1.30 113.55 113.74 1f05 h SER 309 Ca 0.09 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1f05 h SER 309 Cb 0.09 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1f05 h SER 309 CO -0.01 0.13 -0.50 -0.78 -0.53 0.00 0.00 176.83 175.14 1f05 h ASP 310 N 0.22 0.19 -0.84 6.23 3.58 -1.04 -2.69 116.42 122.06 1f05 h ASP 310 Ca 0.06 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 1f05 h ASP 310 Cb -0.02 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 1f05 h ASP 310 CO -0.02 0.66 0.44 1.23 -2.88 0.00 0.00 179.24 178.68 1f05 h GLY 311 N 1.40 1.27 0.93 -0.78 0.00 0.17 -0.66 103.07 105.40 1f05 h GLY 311 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 1f05 h GLY 311 CO 0.07 0.57 -0.01 -2.22 0.00 0.00 0.00 176.54 174.96 1f05 h ILE 312 N 1.18 1.26 -0.46 2.60 2.04 -1.07 -2.33 117.51 120.73 1f05 h ILE 312 Ca 0.29 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1f05 h ILE 312 Cb 0.06 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1f05 h ILE 312 CO -0.04 0.33 0.19 0.03 0.00 0.00 0.00 178.15 178.65 1f05 h ARG 313 N 0.47 0.68 -0.19 2.37 3.08 -1.18 -1.13 114.38 118.49 1f05 h ARG 313 Ca 0.10 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1f05 h ARG 313 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1f05 h ARG 313 CO 0.02 0.62 0.10 0.87 -1.07 0.00 0.00 179.97 180.51 1f05 h LYS 314 N 0.60 0.26 -0.24 0.04 1.57 -1.09 -0.20 116.57 117.51 1f05 h LYS 314 Ca 0.15 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1f05 h LYS 314 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1f05 h LYS 314 CO -0.01 0.24 0.14 0.74 -0.57 0.00 0.00 179.45 179.99 1f05 h PHE 315 N 0.20 0.32 -0.79 -1.35 0.04 -1.36 -0.15 116.94 113.86 1f05 h PHE 315 Ca 0.07 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.95 1f05 h PHE 315 Cb 0.06 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 38.02 1f05 h PHE 315 CO -0.04 0.26 0.41 0.00 -0.60 0.00 0.00 178.31 178.34 1f05 h ALA 316 N 1.04 1.14 -0.42 2.45 0.00 -1.02 0.91 119.26 123.36 1f05 h ALA 316 Ca 0.09 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1f05 h ALA 316 Cb 0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1f05 h ALA 316 CO -0.02 -0.03 0.16 0.00 0.00 0.00 0.00 179.25 179.36 1f05 h ALA 317 N 1.49 0.55 -0.73 0.00 0.00 -0.41 0.15 119.26 120.30 1f05 h ALA 317 Ca 0.40 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1f05 h ALA 317 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1f05 h ALA 317 CO -0.30 0.16 0.48 -0.44 0.00 0.00 0.00 179.25 179.15 1f05 h ASP 318 N 0.53 0.78 -0.46 0.00 3.32 0.24 0.11 116.42 120.94 1f05 h ASP 318 Ca 0.14 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1f05 h ASP 318 Cb 0.20 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1f05 h ASP 318 CO -0.01 0.54 -0.22 0.00 -1.72 0.00 0.00 179.24 177.83 1f05 h ALA 319 N 1.57 0.65 -0.62 3.45 0.00 0.07 -1.24 119.26 123.14 1f05 h ALA 319 Ca 0.29 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1f05 h ALA 319 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1f05 h ALA 319 CO -0.08 0.64 0.06 0.28 0.00 0.00 0.00 179.25 180.15 1f05 h VAL 320 N 0.81 1.26 -0.37 0.00 2.07 0.22 -1.27 116.25 118.97 1f05 h VAL 320 Ca 0.10 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.46 1f05 h VAL 320 Cb 0.80 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1f05 h VAL 320 CO 0.07 0.39 -0.17 0.50 0.02 0.00 0.00 177.57 178.38 1f05 h LYS 321 N 0.95 0.69 -0.36 1.57 3.64 -0.68 -1.83 116.57 120.55 1f05 h LYS 321 Ca 0.18 -0.25 -0.15 0.00 -1.27 0.00 0.00 60.65 59.16 1f05 h LYS 321 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1f05 h LYS 321 CO 0.02 0.83 -0.37 1.25 -2.27 0.00 0.00 179.45 178.90 1f05 h LEU 322 N 0.62 0.89 0.28 5.20 5.85 -1.00 -2.56 115.31 124.60 1f05 h LEU 322 Ca 0.10 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1f05 h LEU 322 Cb 0.64 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1f05 h LEU 322 CO 0.04 1.16 -0.13 -0.33 -0.34 0.00 0.00 178.44 178.84 1f05 h GLU 323 N 0.69 -0.36 -0.14 1.25 5.08 -0.99 -2.52 114.58 117.59 1f05 h GLU 323 Ca 0.06 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1f05 h GLU 323 Cb 0.94 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.21 1f05 h GLU 323 CO 0.09 -0.16 -0.42 -0.09 -1.00 0.00 0.00 179.01 177.42 1f05 h ARG 324 N -0.50 -0.47 -0.71 2.33 2.43 -1.34 0.42 114.38 116.53 1f05 h ARG 324 Ca -0.04 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1f05 h ARG 324 Cb 0.37 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1f05 h ARG 324 CO 0.06 -0.32 0.47 0.52 -1.51 0.00 0.00 179.97 179.20 1f05 h MET 325 N -0.49 0.66 -0.19 0.20 2.86 -1.48 -0.55 114.93 115.93 1f05 h MET 325 Ca 0.08 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1f05 h MET 325 Cb 0.63 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1f05 h MET 325 CO -0.40 0.43 -0.30 -0.07 1.06 0.00 0.00 176.91 177.63 1f05 h LEU 326 N 0.68 0.59 -0.77 1.22 3.38 -0.87 -1.81 115.31 117.72 1f05 h LEU 326 Ca 0.32 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1f05 h LEU 326 Cb 0.36 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1f05 h LEU 326 CO -0.11 1.00 0.17 0.71 0.09 0.00 0.00 178.44 180.30 1f05 h THR 327 N 0.20 1.26 0.00 0.22 1.35 -0.40 0.14 112.91 115.68 1f05 h THR 327 Ca 0.02 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 1f05 h THR 327 Cb 0.88 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1f05 h THR 327 CO 0.07 0.37 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.28 1f05 h GLU 328 N 1.04 0.00 0.00 4.72 4.39 -1.08 0.26 114.58 123.91 1f05 h GLU 328 Ca 0.22 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 1f05 h GLU 328 Cb 0.36 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1f05 h GLU 328 CO 0.00 0.09 -1.44 -2.13 -1.16 0.00 0.00 179.01 174.38 1f05 n ARG 329 N -3.67 0.62 -0.03 2.33 0.63 -0.35 -3.03 116.66 113.16 1f05 n ARG 329 Ca -0.02 0.21 0.02 0.00 -0.92 0.00 0.00 57.85 57.14 1f05 n ARG 329 Cb 0.20 -1.80 0.03 0.00 0.45 0.00 0.00 32.46 31.35 1f05 n ARG 329 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1f05 n MET 330 N -2.87 0.84 -0.13 -0.14 0.00 0.35 -4.61 117.12 110.57 1f05 n MET 330 Ca -0.10 -1.12 0.00 0.00 0.00 0.00 0.00 57.70 56.48 1f05 n MET 330 Cb 0.84 -1.10 0.00 0.00 0.00 0.00 0.00 33.22 32.96 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 0.13 0.00 0.00 3.17 3.72 0.87 -5.04 117.46 120.31 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 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1f05 n PHE 331 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80