#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfw s PRO 5 N 0.00 3.63 -0.37 1.96 0.04 -1.26 -4.66 135.00 134.34 1hfw s PRO 5 Ca 0.00 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 62.87 1hfw s PRO 5 Cb 0.00 -2.46 0.00 0.00 0.04 0.00 0.00 34.50 32.08 1hfw s PRO 5 CO 0.00 -0.73 0.56 -0.80 0.04 0.00 0.00 177.00 176.07 1hfw s ASN 6 N -1.06 6.34 -0.12 6.66 0.01 -1.26 -1.42 114.94 124.08 1hfw s ASN 6 Ca 0.64 -0.09 0.03 0.00 -0.71 0.00 0.00 52.86 52.73 1hfw s ASN 6 Cb -0.35 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1hfw s ASN 6 CO 0.43 -0.57 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.60 1hfw s ILE 7 N 2.53 2.19 -0.20 0.60 -1.09 -0.71 -0.60 121.20 123.92 1hfw s ILE 7 Ca 0.20 -0.95 -0.09 0.00 -2.23 0.00 0.00 60.65 57.58 1hfw s ILE 7 Cb -0.15 -1.87 -0.05 0.00 -1.58 0.00 0.00 42.46 38.82 1hfw s ILE 7 CO 0.15 0.55 0.12 -0.69 -1.23 0.00 0.00 174.94 173.83 1hfw s VAL 8 N 0.57 5.26 -0.33 2.92 1.01 -0.98 -0.92 120.40 127.94 1hfw s VAL 8 Ca -0.12 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 61.90 1hfw s VAL 8 Cb -0.17 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.82 1hfw s VAL 8 CO 0.04 0.43 0.16 -0.63 0.00 0.00 0.00 175.10 175.10 1hfw s ILE 9 N 0.45 4.48 -0.30 2.22 1.01 0.76 -1.37 121.20 128.45 1hfw s ILE 9 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.01 1hfw s ILE 9 Cb -0.12 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1hfw s ILE 9 CO -0.01 -0.02 0.18 -0.22 0.00 0.00 0.00 174.94 174.87 1hfw s LEU 10 N 1.58 4.08 -0.15 2.97 2.96 0.21 -0.62 118.68 129.72 1hfw s LEU 10 Ca 0.03 -0.24 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1hfw s LEU 10 Cb -0.18 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1hfw s LEU 10 CO 0.06 -0.12 0.22 0.00 -1.32 0.00 0.00 176.35 175.19 1hfw s ALA 11 N 1.70 3.70 0.00 5.97 0.00 -0.34 -1.69 121.76 131.11 1hfw s ALA 11 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1hfw s ALA 11 Cb -0.16 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.73 1hfw s ALA 11 CO 0.09 0.28 0.00 0.25 0.00 0.00 0.00 175.76 176.38 1hfw n THR 12 N 2.99 0.00 -0.42 0.00 -2.24 -1.00 -0.66 114.28 112.96 1hfw n THR 12 Ca -0.15 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1hfw n THR 12 Cb 0.53 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1hfw n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hfw n GLY 13 N 1.89 0.68 0.00 3.38 0.00 -1.25 -2.09 105.19 107.80 1hfw n GLY 13 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1hfw n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1hfw n GLY 14 N 0.00 1.04 0.00 -0.02 0.00 -1.21 -3.62 105.19 101.38 1hfw n GLY 14 Ca 0.00 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.34 1hfw n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1hfw n THR 15 N 1.05 0.13 0.18 2.61 5.66 -1.26 -3.42 114.28 119.23 1hfw n THR 15 Ca 0.00 0.03 0.03 0.00 -3.05 0.00 0.00 64.05 61.06 1hfw n THR 15 Cb 0.00 -0.63 0.39 0.00 -1.55 0.00 0.00 70.33 68.54 1hfw n THR 15 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1hfw h ILE 16 N 0.00 1.22 -1.21 1.09 2.10 -1.85 -3.19 117.51 115.68 1hfw h ILE 16 Ca 0.00 -1.05 0.00 0.00 1.08 0.00 0.00 64.86 64.89 1hfw h ILE 16 Cb 0.13 1.54 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 1hfw h ILE 16 CO 0.00 0.30 0.00 0.00 -1.08 0.00 0.00 178.15 177.37 1hfw n ALA 17 N -2.48 0.00 -1.00 0.18 0.00 -1.22 -4.76 120.51 111.23 1hfw n ALA 17 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1hfw n ALA 17 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1hfw n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfw n GLY 35 N 3.95 -2.51 0.14 0.00 0.00 -1.26 -4.60 105.19 100.91 1hfw n GLY 35 Ca 0.00 -0.85 0.02 0.00 0.00 0.00 0.00 46.02 45.19 1hfw n GLY 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1hfw h VAL 36 N -0.83 1.02 0.02 1.61 3.04 -1.98 -2.99 116.25 116.16 1hfw h VAL 36 Ca 0.00 -2.25 -0.00 0.00 -1.01 0.00 0.00 66.70 63.44 1hfw h VAL 36 Cb 0.00 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 1hfw h VAL 36 CO 0.00 0.55 -0.01 0.44 -1.01 0.00 0.00 177.57 177.53 1hfw h ASP 37 N 0.00 -0.03 0.35 3.17 3.32 -1.98 -2.17 116.42 119.07 1hfw h ASP 37 Ca -0.01 -0.61 -0.03 0.00 0.02 0.00 0.00 57.03 56.41 1hfw h ASP 37 Cb 1.32 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 1hfw h ASP 37 CO 0.07 0.61 -0.14 0.71 -1.72 0.00 0.00 179.24 178.77 1hfw h THR 38 N -0.69 0.67 -0.01 0.35 1.35 -1.99 -1.20 112.91 111.39 1hfw h THR 38 Ca -0.00 -0.58 -0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1hfw h THR 38 Cb 0.63 1.36 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1hfw h THR 38 CO 0.01 0.14 0.00 0.25 -0.25 0.00 0.00 175.52 175.67 1hfw h LEU 39 N 0.00 0.02 -1.10 3.87 5.85 -1.46 -0.11 115.31 122.39 1hfw h LEU 39 Ca -0.00 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1hfw h LEU 39 Cb 0.35 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1hfw h LEU 39 CO 0.02 0.20 -0.00 0.40 -0.34 0.00 0.00 178.44 178.72 1hfw h ILE 40 N -0.17 1.22 0.00 4.05 2.04 -0.68 -2.71 117.51 121.26 1hfw h ILE 40 Ca 0.00 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.98 1hfw h ILE 40 Cb 0.19 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 1hfw h ILE 40 CO -0.00 0.31 -0.16 0.78 0.00 0.00 0.00 178.15 179.08 1hfw h ASN 41 N 0.60 0.00 1.36 1.72 2.35 -1.11 -3.15 115.58 117.34 1hfw h ASN 41 Ca 0.12 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1hfw h ASN 41 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1hfw h ASN 41 CO 0.01 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 1hfw h ALA 42 N 2.31 1.00 -2.03 -0.83 0.00 -0.67 -3.34 119.26 115.70 1hfw h ALA 42 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 1hfw h ALA 42 Cb 0.84 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.26 1hfw h ALA 42 CO 0.00 0.00 -1.05 1.55 0.00 0.00 0.00 179.25 179.75 1hfw n VAL 43 N -2.52 -0.82 0.30 0.00 3.14 -1.19 -5.00 118.33 112.25 1hfw n VAL 43 Ca 0.04 -3.73 0.17 0.00 -2.96 0.00 0.00 64.34 57.85 1hfw n VAL 43 Cb 0.39 -1.73 0.89 0.00 -1.06 0.00 0.00 33.84 32.33 1hfw n VAL 43 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1hfw h PRO 44 N 4.47 0.00 -0.01 1.45 0.11 -1.70 -3.01 132.00 133.31 1hfw h PRO 44 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1hfw h PRO 44 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1hfw h PRO 44 CO 0.43 0.00 0.02 0.93 -0.21 0.00 0.00 178.00 179.16 1hfw h GLU 45 N 0.00 0.00 0.00 1.05 3.07 -1.94 -1.81 114.58 114.94 1hfw h GLU 45 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1hfw h GLU 45 Cb 0.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1hfw h GLU 45 CO 0.00 0.00 -0.19 -0.39 -1.40 0.00 0.00 179.01 177.03 1hfw h VAL 46 N 0.00 0.72 0.00 3.13 -1.51 -1.87 -2.45 116.25 114.27 1hfw h VAL 46 Ca 0.01 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1hfw h VAL 46 Cb 0.04 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1hfw h VAL 46 CO -0.00 0.19 0.00 0.11 -1.23 0.00 0.00 177.57 176.64 1hfw h LYS 47 N 0.00 0.00 0.00 5.19 1.57 -1.54 -1.37 116.57 120.42 1hfw h LYS 47 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1hfw h LYS 47 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1hfw h LYS 47 CO 0.02 0.00 -0.78 0.87 -0.57 0.00 0.00 179.45 178.99 1hfw h LYS 48 N 0.00 0.00 0.00 3.15 1.57 -1.61 -3.35 116.57 116.34 1hfw h LYS 48 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1hfw h LYS 48 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1hfw h LYS 48 CO 0.00 0.00 -1.64 1.28 -0.57 0.00 0.00 179.45 178.52 1hfw n LEU 49 N -2.24 0.39 -3.67 2.94 4.32 -0.55 -5.04 117.00 113.15 1hfw n LEU 49 Ca 0.02 0.16 -0.00 0.00 -0.02 0.00 0.00 56.01 56.16 1hfw n LEU 49 Cb 0.47 0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.29 1hfw n LEU 49 CO 0.38 0.00 0.93 0.00 -1.22 0.00 0.00 177.39 177.48 1hfw s ALA 50 N -3.30 -2.02 -0.60 -1.18 0.00 -1.01 -4.57 121.76 109.08 1hfw s ALA 50 Ca -0.05 0.50 -0.19 0.00 0.00 0.00 0.00 51.96 52.21 1hfw s ALA 50 Cb 0.11 0.46 0.10 0.00 0.00 0.00 0.00 23.12 23.79 1hfw s ALA 50 CO 0.85 -1.04 0.73 1.21 0.00 0.00 0.00 175.76 177.51 1hfw s ASN 51 N -2.95 6.19 0.15 0.00 2.47 -0.51 -4.43 114.94 115.87 1hfw s ASN 51 Ca 0.13 -1.42 -0.03 0.00 0.42 0.00 0.00 52.86 51.96 1hfw s ASN 51 Cb 0.02 -2.31 -0.05 0.00 -1.45 0.00 0.00 41.25 37.46 1hfw s ASN 51 CO -0.02 -1.14 0.37 0.68 -3.72 0.00 0.00 177.10 173.28 1hfw s VAL 52 N 2.77 5.19 -0.07 -5.21 -7.23 -1.26 -1.74 120.40 112.85 1hfw s VAL 52 Ca 0.13 -0.09 -0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1hfw s VAL 52 Cb -0.23 -3.65 0.02 0.00 0.56 0.00 0.00 36.38 33.08 1hfw s VAL 52 CO 0.06 -0.01 -0.03 -0.54 -0.31 0.00 0.00 175.10 174.27 1hfw s LYS 53 N -2.82 0.88 0.07 4.82 3.01 -0.09 -4.96 119.74 120.65 1hfw s LYS 53 Ca 0.40 -0.05 -0.06 0.00 -1.01 0.00 0.00 55.97 55.25 1hfw s LYS 53 Cb -0.12 -1.04 -0.05 0.00 -1.01 0.00 0.00 37.83 35.61 1hfw s LYS 53 CO 0.26 -0.20 0.33 0.20 0.51 0.00 0.00 175.35 176.45 1hfw s GLY 54 N 1.49 2.27 -0.08 -3.33 0.00 -1.26 -0.17 107.32 106.24 1hfw s GLY 54 Ca -0.02 -0.53 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 1hfw s GLY 54 CO -0.03 -0.38 0.16 1.85 0.00 0.00 0.00 173.10 174.69 1hfw s GLU 55 N -2.13 0.09 -0.33 2.90 2.12 0.21 -4.92 118.70 116.64 1hfw s GLU 55 Ca 0.34 0.44 -0.23 0.00 0.36 0.00 0.00 54.97 55.87 1hfw s GLU 55 Cb -0.13 -0.19 0.01 0.00 0.26 0.00 0.00 34.13 34.07 1hfw s GLU 55 CO 0.20 -0.20 0.80 -1.14 -0.54 0.00 0.00 175.26 174.38 1hfw s GLN 56 N 1.46 3.87 -0.20 4.30 2.00 -1.26 -1.19 119.66 128.63 1hfw s GLN 56 Ca -0.06 0.47 -0.02 0.00 -2.00 0.00 0.00 55.36 53.75 1hfw s GLN 56 Cb -0.12 -3.77 -0.21 0.00 0.80 0.00 0.00 33.01 29.72 1hfw s GLN 56 CO -0.06 -0.77 0.01 0.34 -0.50 0.00 0.00 175.29 174.31 1hfw n PHE 57 N 6.33 0.51 -3.86 1.67 7.35 0.17 -4.93 117.46 124.70 1hfw n PHE 57 Ca 0.04 0.11 -0.03 0.00 -0.76 0.00 0.00 57.45 56.80 1hfw n PHE 57 Cb 0.48 -1.07 0.02 0.00 0.35 0.00 0.00 39.48 39.27 1hfw n PHE 57 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1hfw n SER 58 N -3.36 -1.70 -2.94 -2.13 3.41 -0.87 -4.99 113.62 101.03 1hfw n SER 58 Ca -0.40 -1.93 -0.06 0.00 -0.26 0.00 0.00 58.87 56.22 1hfw n SER 58 Cb 1.01 2.78 -0.01 0.00 -0.26 0.00 0.00 64.21 67.73 1hfw n SER 58 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1hfw s ASN 59 N -3.28 -1.04 0.11 4.04 2.47 -1.12 -3.79 114.94 112.33 1hfw s ASN 59 Ca 0.21 -1.69 -0.11 0.00 0.42 0.00 0.00 52.86 51.70 1hfw s ASN 59 Cb -0.03 1.60 0.01 0.00 -1.45 0.00 0.00 41.25 41.38 1hfw s ASN 59 CO 0.06 -0.10 0.26 0.00 -3.72 0.00 0.00 177.10 173.61 1hfw s MET 60 N 1.00 0.96 0.46 0.43 0.23 -0.89 -4.93 119.30 116.56 1hfw s MET 60 Ca 0.27 -0.92 -0.23 0.00 -1.03 0.00 0.00 55.69 53.77 1hfw s MET 60 Cb -0.01 0.38 -0.07 0.00 -1.53 0.00 0.00 34.83 33.60 1hfw s MET 60 CO -0.07 -0.33 1.23 0.00 -2.03 0.00 0.00 175.02 173.81 1hfw s ALA 61 N -3.86 3.01 0.56 3.16 0.00 -1.26 -3.30 121.76 120.07 1hfw s ALA 61 Ca 0.06 1.07 0.31 0.00 0.00 0.00 0.00 51.96 53.40 1hfw s ALA 61 Cb 0.04 -3.44 1.83 0.00 0.00 0.00 0.00 23.12 21.55 1hfw s ALA 61 CO -0.10 -0.81 2.24 0.66 0.00 0.00 0.00 175.76 177.75 1hfw h SER 62 N 2.11 0.00 0.51 0.00 4.64 -1.94 -1.75 113.55 117.12 1hfw h SER 62 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1hfw h SER 62 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1hfw h SER 62 CO 0.60 0.02 0.00 -1.84 -0.87 0.00 0.00 176.83 174.74 1hfw n GLU 63 N -3.71 0.08 -0.30 4.77 0.00 -1.26 -1.79 120.64 118.44 1hfw n GLU 63 Ca -0.03 0.36 0.08 0.00 0.00 0.00 0.00 57.16 57.57 1hfw n GLU 63 Cb 0.11 -1.67 0.22 0.00 0.00 0.00 0.00 31.44 30.10 1hfw n GLU 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1hfw n ASN 64 N -1.83 3.46 -4.72 -1.84 3.02 -0.66 -4.97 115.26 107.73 1hfw n ASN 64 Ca 0.02 -2.17 -0.42 0.00 -0.03 0.00 0.00 54.58 51.99 1hfw n ASN 64 Cb 0.17 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 1hfw n ASN 64 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1hfw s MET 65 N -1.31 4.51 0.29 3.52 1.75 -0.74 -5.00 119.30 122.33 1hfw s MET 65 Ca 0.34 1.63 0.10 0.00 -1.25 0.00 0.00 55.69 56.50 1hfw s MET 65 Cb 0.20 -3.38 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 1hfw s MET 65 CO 0.20 -0.12 -0.01 0.95 -0.65 0.00 0.00 175.02 175.38 1hfw s THR 66 N 0.83 3.08 0.43 10.11 -4.23 -1.26 -5.04 115.64 119.56 1hfw s THR 66 Ca 0.55 -1.97 0.15 0.00 -1.18 0.00 0.00 61.69 59.23 1hfw s THR 66 Cb -0.26 -2.78 0.34 0.00 1.34 0.00 0.00 72.50 71.14 1hfw s THR 66 CO 0.30 -0.32 1.95 1.23 -0.54 0.00 0.00 174.62 177.24 1hfw h GLY 67 N 1.88 0.63 2.00 3.99 0.00 -1.99 -1.96 103.07 107.62 1hfw h GLY 67 Ca -0.43 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1hfw h GLY 67 CO 0.62 0.09 -0.53 -0.55 0.00 0.00 0.00 176.54 176.17 1hfw h ASP 68 N 0.41 0.00 0.14 0.19 3.32 -1.96 -1.58 116.42 116.94 1hfw h ASP 68 Ca 0.32 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.08 1hfw h ASP 68 Cb 0.68 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.26 1hfw h ASP 68 CO -0.09 0.53 -1.21 0.58 -1.72 0.00 0.00 179.24 177.32 1hfw h VAL 69 N 0.00 1.29 -0.59 -1.35 2.07 -1.78 -2.74 116.25 113.15 1hfw h VAL 69 Ca -0.01 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.01 1hfw h VAL 69 Cb 1.12 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 1hfw h VAL 69 CO 0.07 0.75 0.16 0.58 0.02 0.00 0.00 177.57 179.14 1hfw h VAL 70 N 0.29 1.23 -0.58 2.57 2.07 -1.36 -0.06 116.25 120.41 1hfw h VAL 70 Ca -0.18 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1hfw h VAL 70 Cb 1.88 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1hfw h VAL 70 CO 0.23 0.32 0.35 0.25 0.02 0.00 0.00 177.57 178.74 1hfw h LEU 71 N 0.87 0.70 -0.79 2.57 5.85 -1.28 -0.53 115.31 122.71 1hfw h LEU 71 Ca 0.19 -0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1hfw h LEU 71 Cb 0.29 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1hfw h LEU 71 CO -0.00 0.56 -0.00 0.11 -0.34 0.00 0.00 178.44 178.76 1hfw h LYS 72 N 0.79 0.91 -0.41 1.25 1.57 -1.10 -2.43 116.57 117.15 1hfw h LYS 72 Ca 0.21 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1hfw h LYS 72 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1hfw h LYS 72 CO -0.04 0.91 0.18 1.25 -0.57 0.00 0.00 179.45 181.17 1hfw h LEU 73 N 0.84 0.56 -0.50 2.94 5.85 -0.47 -1.52 115.31 123.01 1hfw h LEU 73 Ca 0.16 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1hfw h LEU 73 Cb 0.50 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1hfw h LEU 73 CO 0.02 0.56 0.32 -1.28 -0.34 0.00 0.00 178.44 177.73 1hfw h SER 74 N 0.53 0.56 -0.54 1.25 0.87 -0.96 -1.41 113.55 113.84 1hfw h SER 74 Ca 0.14 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 1hfw h SER 74 Cb 0.17 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.97 1hfw h SER 74 CO -0.01 0.40 0.08 1.56 -0.53 0.00 0.00 176.83 178.33 1hfw h GLN 75 N 0.66 0.95 -0.45 2.24 4.20 -1.22 -1.58 115.11 119.90 1hfw h GLN 75 Ca 0.18 -0.24 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 1hfw h GLN 75 Cb -0.06 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1hfw h GLN 75 CO -0.05 0.89 0.02 -0.09 -0.67 0.00 0.00 178.83 178.93 1hfw h ARG 76 N 0.90 0.79 -0.54 1.46 9.65 -0.99 -2.19 114.38 123.46 1hfw h ARG 76 Ca 0.18 -0.24 -0.09 0.00 -1.10 0.00 0.00 59.98 58.73 1hfw h ARG 76 Cb 0.41 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1hfw h ARG 76 CO 0.01 0.84 -0.03 0.28 2.80 0.00 0.00 179.97 183.87 1hfw h VAL 77 N 0.64 1.26 -0.56 0.20 2.07 -1.06 -1.05 116.25 117.75 1hfw h VAL 77 Ca 0.13 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 1hfw h VAL 77 Cb 0.47 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1hfw h VAL 77 CO 0.02 0.40 0.28 0.78 0.02 0.00 0.00 177.57 179.07 1hfw h ASN 78 N 0.86 0.70 -0.06 0.57 2.35 -1.18 -0.62 115.58 118.20 1hfw h ASN 78 Ca 0.15 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1hfw h ASN 78 Cb 0.55 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 1hfw h ASN 78 CO 0.03 0.59 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.30 1hfw h GLU 79 N 0.78 0.11 -0.37 0.81 4.81 -0.89 -3.02 114.58 116.82 1hfw h GLU 79 Ca 0.20 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1hfw h GLU 79 Cb 0.06 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1hfw h GLU 79 CO -0.03 0.47 0.14 -0.07 -0.73 0.00 0.00 179.01 178.79 1hfw h LEU 80 N -0.25 0.51 -0.25 1.64 3.38 -0.90 -2.72 115.31 116.72 1hfw h LEU 80 Ca 0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1hfw h LEU 80 Cb 0.43 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1hfw h LEU 80 CO 0.01 0.55 0.00 0.18 0.09 0.00 0.00 178.44 179.26 1hfw n LEU 81 N -4.67 0.21 0.16 1.67 4.77 -0.27 -1.96 117.00 116.92 1hfw n LEU 81 Ca -0.01 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.65 1hfw n LEU 81 Cb 0.15 -0.53 0.29 0.00 -2.33 0.00 0.00 43.42 40.99 1hfw n LEU 81 CO 0.37 -0.39 0.85 0.00 -1.33 0.00 0.00 177.39 176.89 1hfw h ALA 82 N 2.37 1.00 -2.73 -1.18 0.00 -1.34 -3.45 119.26 113.93 1hfw h ALA 82 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 1hfw h ALA 82 Cb 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1hfw h ALA 82 CO 0.00 0.00 0.34 1.03 0.00 0.00 0.00 179.25 180.62 1hfw s ARG 83 N -3.16 4.83 0.02 0.00 0.52 -0.83 -4.95 118.95 115.39 1hfw s ARG 83 Ca 0.09 1.47 0.22 0.00 -0.52 0.00 0.00 55.73 56.98 1hfw s ARG 83 Cb 0.09 -3.29 0.91 0.00 0.52 0.00 0.00 34.95 33.17 1hfw s ARG 83 CO 0.63 0.49 1.69 -0.25 0.02 0.00 0.00 175.30 177.88 1hfw n ASP 84 N 1.63 0.07 -1.82 0.23 8.00 -1.26 -2.95 116.55 120.44 1hfw n ASP 84 Ca -0.02 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.07 1hfw n ASP 84 Cb 0.47 -0.53 0.40 0.00 -0.02 0.00 0.00 41.12 41.44 1hfw n ASP 84 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1hfw n ASP 85 N -1.57 5.61 -3.90 -2.24 5.75 -1.26 -4.82 116.55 114.12 1hfw n ASP 85 Ca 0.05 -2.93 -0.27 0.00 -0.01 0.00 0.00 54.79 51.64 1hfw n ASP 85 Cb 0.26 -0.67 -0.17 0.00 -1.03 0.00 0.00 41.12 39.50 1hfw n ASP 85 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1hfw s VAL 86 N -2.75 0.99 -0.12 2.12 1.01 -1.15 -4.77 120.40 115.73 1hfw s VAL 86 Ca 0.54 -0.27 0.21 0.00 0.00 0.00 0.00 61.98 62.46 1hfw s VAL 86 Cb 0.41 -1.02 -0.21 0.00 0.00 0.00 0.00 36.38 35.57 1hfw s VAL 86 CO 0.16 0.36 0.63 0.47 0.00 0.00 0.00 175.10 176.72 1hfw n ASP 87 N 4.93 0.37 -3.62 3.32 8.00 0.23 -4.87 116.55 124.90 1hfw n ASP 87 Ca -0.12 0.15 -0.03 0.00 0.71 0.00 0.00 54.79 55.50 1hfw n ASP 87 Cb 0.50 1.14 -0.01 0.00 -0.02 0.00 0.00 41.12 42.73 1hfw n ASP 87 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1hfw s GLY 88 N -4.66 -0.35 -0.00 0.44 0.00 -1.17 -4.23 107.32 97.35 1hfw s GLY 88 Ca -0.05 0.84 0.04 0.00 0.00 0.00 0.00 44.72 45.54 1hfw s GLY 88 CO 0.85 0.24 -0.11 0.14 0.00 0.00 0.00 173.10 174.22 1hfw s VAL 89 N -2.77 0.89 -0.11 1.40 1.01 -0.68 -2.32 120.40 117.81 1hfw s VAL 89 Ca 0.11 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.57 1hfw s VAL 89 Cb 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.63 1hfw s VAL 89 CO -0.04 0.20 -0.23 -0.69 0.00 0.00 0.00 175.10 174.34 1hfw s VAL 90 N -0.36 2.03 -0.20 2.92 1.01 -0.47 -1.35 120.40 123.97 1hfw s VAL 90 Ca 0.03 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1hfw s VAL 90 Cb -0.05 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1hfw s VAL 90 CO -0.00 0.55 -0.12 -0.63 0.00 0.00 0.00 175.10 174.90 1hfw s ILE 91 N 0.54 2.72 0.08 2.22 1.01 0.21 -0.62 121.20 127.36 1hfw s ILE 91 Ca -0.14 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.56 1hfw s ILE 91 Cb -0.17 -2.20 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1hfw s ILE 91 CO 0.05 0.48 0.70 0.42 0.00 0.00 0.00 174.94 176.59 1hfw s THR 92 N 1.38 4.63 0.13 2.92 -4.23 -0.68 -0.84 115.64 118.95 1hfw s THR 92 Ca 0.05 1.51 -0.16 0.00 -1.18 0.00 0.00 61.69 61.91 1hfw s THR 92 Cb -0.14 -4.05 0.04 0.00 1.34 0.00 0.00 72.50 69.69 1hfw s THR 92 CO -0.08 0.47 0.41 -2.28 -0.54 0.00 0.00 174.62 172.60 1hfw s HIS 93 N -0.67 -0.20 0.54 3.99 5.04 -0.89 -2.38 115.29 120.71 1hfw s HIS 93 Ca 0.34 -0.11 -0.18 0.00 -1.54 0.00 0.00 55.06 53.57 1hfw s HIS 93 Cb -0.21 0.27 -0.06 0.00 0.04 0.00 0.00 32.58 32.62 1hfw s HIS 93 CO 0.22 -0.72 1.04 0.20 -2.34 0.00 0.00 174.74 173.15 1hfw s GLY 94 N -2.81 2.31 0.25 1.59 0.00 -1.26 -4.42 107.32 102.99 1hfw s GLY 94 Ca 0.03 0.49 0.05 0.00 0.00 0.00 0.00 44.72 45.29 1hfw s GLY 94 CO -0.11 0.80 1.60 -0.91 0.00 0.00 0.00 173.10 174.48 1hfw h THR 95 N 1.01 1.37 -0.74 0.90 1.35 -1.95 -3.17 112.91 111.67 1hfw h THR 95 Ca -0.48 -1.86 0.11 0.00 -0.55 0.00 0.00 66.41 63.62 1hfw h THR 95 Cb 1.22 1.92 -0.08 0.00 -1.73 0.00 0.00 68.15 69.48 1hfw h THR 95 CO 0.58 0.55 0.36 0.44 -0.25 0.00 0.00 175.52 177.21 1hfw h ASP 96 N 0.18 0.45 0.00 5.36 3.32 -1.94 -3.15 116.42 120.64 1hfw h ASP 96 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1hfw h ASP 96 Cb 1.03 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1hfw h ASP 96 CO 0.09 0.24 -0.06 0.35 -1.72 0.00 0.00 179.24 178.14 1hfw n THR 97 N -4.88 1.63 -0.02 0.35 -2.24 -1.26 -4.75 114.28 103.11 1hfw n THR 97 Ca 0.12 -1.95 0.07 0.00 -2.27 0.00 0.00 64.05 60.03 1hfw n THR 97 Cb 0.32 -0.12 0.47 0.00 -2.10 0.00 0.00 70.33 68.90 1hfw n THR 97 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 1hfw h VAL 98 N 0.83 1.01 0.00 2.28 3.04 -1.52 -0.56 116.25 121.33 1hfw h VAL 98 Ca 0.00 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 1hfw h VAL 98 Cb 1.03 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1hfw h VAL 98 CO 0.00 0.08 -0.10 1.05 -1.01 0.00 0.00 177.57 177.59 1hfw h GLU 99 N 0.46 0.00 0.00 4.17 4.11 -1.85 0.06 114.58 121.52 1hfw h GLU 99 Ca 0.19 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.62 1hfw h GLU 99 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1hfw h GLU 99 CO -0.05 0.10 -0.02 0.93 0.07 0.00 0.00 179.01 180.04 1hfw h GLU 100 N 0.00 0.00 -0.67 1.06 5.08 -1.46 -3.00 114.58 115.59 1hfw h GLU 100 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1hfw h GLU 100 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1hfw h GLU 100 CO 0.01 0.86 0.37 0.77 -1.00 0.00 0.00 179.01 180.02 1hfw h SER 101 N -1.00 0.84 -0.77 1.42 0.02 -1.36 -2.48 113.55 110.22 1hfw h SER 101 Ca -0.01 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 1hfw h SER 101 Cb 0.87 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.16 1hfw h SER 101 CO -0.00 0.69 0.28 0.00 -1.14 0.00 0.00 176.83 176.65 1hfw h ALA 102 N 1.18 1.00 0.00 3.77 0.00 -1.12 -2.43 119.26 121.66 1hfw h ALA 102 Ca 0.24 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1hfw h ALA 102 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1hfw h ALA 102 CO -0.04 0.65 -0.46 -0.92 0.00 0.00 0.00 179.25 178.49 1hfw h TYR 103 N 1.13 0.00 -0.11 0.00 3.20 -1.40 -0.58 116.97 119.21 1hfw h TYR 103 Ca 0.25 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1hfw h TYR 103 Cb 0.26 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 1hfw h TYR 103 CO 0.02 0.46 -0.00 0.35 -1.64 0.00 0.00 178.16 177.35 1hfw h PHE 104 N 0.00 0.22 -0.06 -3.82 3.04 -1.07 -2.76 116.94 112.49 1hfw h PHE 104 Ca -0.00 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.81 1hfw h PHE 104 Cb 0.96 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.40 1hfw h PHE 104 CO 0.00 0.44 -0.42 -0.07 -2.02 0.00 0.00 178.31 176.25 1hfw h LEU 105 N -0.07 0.13 -1.65 0.59 4.07 -1.33 -2.34 115.31 114.70 1hfw h LEU 105 Ca 0.03 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.05 1hfw h LEU 105 Cb 0.36 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.03 1hfw h LEU 105 CO 0.01 0.53 0.41 -0.74 -1.08 0.00 0.00 178.44 177.57 1hfw h HIS 106 N 0.10 0.42 0.00 1.13 2.76 -0.89 -1.37 115.15 117.29 1hfw h HIS 106 Ca 0.01 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1hfw h HIS 106 Cb 0.78 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.61 1hfw h HIS 106 CO 0.01 0.19 -1.31 1.28 -1.30 0.00 0.00 177.93 176.80 1hfw n LEU 107 N -4.47 0.51 -0.00 0.26 4.77 -0.99 -1.25 117.00 115.83 1hfw n LEU 107 Ca 0.10 -0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.07 1hfw n LEU 107 Cb 0.41 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1hfw n LEU 107 CO 0.34 0.04 -0.18 0.35 -1.33 0.00 0.00 177.39 176.60 1hfw n THR 108 N -2.06 0.00 -2.84 -5.08 -2.24 -0.92 -4.43 114.28 96.73 1hfw n THR 108 Ca 0.00 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 61.08 1hfw n THR 108 Cb 0.47 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.47 1hfw n THR 108 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1hfw s VAL 109 N -1.96 4.71 -0.85 2.28 1.01 -0.56 -4.84 120.40 120.19 1hfw s VAL 109 Ca 0.01 1.43 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 1hfw s VAL 109 Cb 0.06 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.28 1hfw s VAL 109 CO 0.32 -0.29 2.64 0.29 0.00 0.00 0.00 175.10 178.06 1hfw n LYS 110 N 6.37 3.41 -3.92 2.72 4.76 -1.26 -3.80 118.16 126.44 1hfw n LYS 110 Ca 0.07 -2.79 -0.09 0.00 -2.87 0.00 0.00 58.31 52.62 1hfw n LYS 110 Cb 0.48 -2.37 -0.09 0.00 -1.84 0.00 0.00 35.03 31.21 1hfw n LYS 110 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1hfw s SER 111 N 0.47 0.18 0.08 4.39 0.15 -1.26 -4.81 113.70 112.90 1hfw s SER 111 Ca 0.57 -0.59 0.16 0.00 0.70 0.00 0.00 55.95 56.79 1hfw s SER 111 Cb 0.29 0.26 -0.13 0.00 -1.71 0.00 0.00 66.02 64.73 1hfw s SER 111 CO -0.15 -0.58 0.90 -0.78 1.20 0.00 0.00 173.24 173.82 1hfw h ASP 112 N 3.35 0.00 -3.98 5.45 3.58 -1.96 -3.39 116.42 119.47 1hfw h ASP 112 Ca -0.33 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.58 1hfw h ASP 112 Cb 1.18 0.00 0.12 0.00 1.72 0.00 0.00 39.33 42.35 1hfw h ASP 112 CO 0.53 0.64 0.71 -0.54 -2.88 0.00 0.00 179.24 177.71 1hfw s LYS 113 N -2.88 3.78 0.23 0.28 1.02 -1.26 -1.22 119.74 119.70 1hfw s LYS 113 Ca -0.02 2.44 -0.31 0.00 0.02 0.00 0.00 55.97 58.09 1hfw s LYS 113 Cb 0.08 -2.72 -0.11 0.00 -0.52 0.00 0.00 37.83 34.56 1hfw s LYS 113 CO 0.81 -0.75 1.63 -2.14 -0.92 0.00 0.00 175.35 173.98 1hfw s PRO 114 N -2.37 4.15 -0.19 -1.68 0.02 -1.26 -4.87 135.00 128.80 1hfw s PRO 114 Ca 0.59 2.54 0.01 0.00 0.02 0.00 0.00 61.00 64.16 1hfw s PRO 114 Cb -0.44 -3.07 0.04 0.00 0.02 0.00 0.00 34.50 31.05 1hfw s PRO 114 CO 0.57 -0.67 -0.11 0.08 -0.33 0.00 0.00 177.00 176.55 1hfw s VAL 115 N 0.69 1.67 -0.15 3.83 1.01 -1.26 -1.69 120.40 124.50 1hfw s VAL 115 Ca 0.69 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1hfw s VAL 115 Cb -0.48 -1.72 0.02 0.00 0.00 0.00 0.00 36.38 34.21 1hfw s VAL 115 CO 0.38 0.21 -0.17 -0.69 0.00 0.00 0.00 175.10 174.83 1hfw s VAL 116 N 1.39 1.73 0.05 2.92 1.01 -0.46 -2.11 120.40 124.93 1hfw s VAL 116 Ca -0.01 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1hfw s VAL 116 Cb -0.16 -1.59 -0.06 0.00 0.00 0.00 0.00 36.38 34.57 1hfw s VAL 116 CO -0.09 0.49 0.55 -0.36 0.00 0.00 0.00 175.10 175.69 1hfw s PHE 117 N 1.30 3.77 0.06 5.22 0.40 -0.05 -0.61 117.98 128.07 1hfw s PHE 117 Ca 0.02 1.21 0.04 0.00 -0.60 0.00 0.00 56.93 57.60 1hfw s PHE 117 Cb -0.13 -2.49 -0.03 0.00 0.51 0.00 0.00 43.02 40.88 1hfw s PHE 117 CO -0.09 0.55 -0.11 0.54 0.70 0.00 0.00 175.22 176.81 1hfw s VAL 118 N -0.91 0.81 0.38 -0.44 0.11 -0.02 -1.70 120.40 118.62 1hfw s VAL 118 Ca 0.28 -1.21 -0.09 0.00 -2.93 0.00 0.00 61.98 58.03 1hfw s VAL 118 Cb -0.19 -0.85 0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1hfw s VAL 118 CO 0.18 -0.33 0.65 0.00 -3.33 0.00 0.00 175.10 172.27 1hfw s ALA 119 N -1.40 0.02 -0.05 1.54 0.00 -1.26 -2.10 121.76 118.51 1hfw s ALA 119 Ca -0.06 -1.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.70 1hfw s ALA 119 Cb -0.10 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1hfw s ALA 119 CO 0.01 -0.89 0.14 0.00 0.00 0.00 0.00 175.76 175.02 1hfw s ALA 120 N -2.50 -0.34 -0.50 0.00 0.00 -1.26 -4.77 121.76 112.39 1hfw s ALA 120 Ca 0.23 0.39 0.24 0.00 0.00 0.00 0.00 51.96 52.82 1hfw s ALA 120 Cb -0.03 -0.23 0.25 0.00 0.00 0.00 0.00 23.12 23.11 1hfw s ALA 120 CO 0.16 -0.07 1.27 0.52 0.00 0.00 0.00 175.76 177.65 1hfw h MET 121 N 5.94 0.00 -6.71 0.00 2.86 -1.93 -3.44 114.93 111.66 1hfw h MET 121 Ca -0.25 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 56.70 1hfw h MET 121 Cb 1.20 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.61 1hfw h MET 121 CO 0.42 0.00 -0.86 1.03 1.06 0.00 0.00 176.91 178.56 1hfw s ARG 122 N -3.23 1.85 0.59 1.72 0.52 -1.26 -5.02 118.95 114.12 1hfw s ARG 122 Ca 0.04 -1.09 -0.19 0.00 -0.52 0.00 0.00 55.73 53.98 1hfw s ARG 122 Cb 0.11 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.52 1hfw s ARG 122 CO 0.73 0.52 1.18 -1.25 0.02 0.00 0.00 175.30 176.51 1hfw s PRO 123 N -1.31 3.02 0.60 3.54 0.04 -1.26 -4.60 135.00 135.03 1hfw s PRO 123 Ca 0.12 1.75 0.29 0.00 0.04 0.00 0.00 61.00 63.20 1hfw s PRO 123 Cb -0.10 -1.94 1.49 0.00 0.04 0.00 0.00 34.50 33.99 1hfw s PRO 123 CO 0.03 -1.15 1.90 0.00 0.04 0.00 0.00 177.00 177.83 1hfw h ALA 124 N 0.87 2.06 -0.01 8.56 0.00 -1.80 0.16 119.26 129.09 1hfw h ALA 124 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1hfw h ALA 124 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1hfw h ALA 124 CO 0.55 -0.65 -0.06 0.25 0.00 0.00 0.00 179.25 179.34 1hfw n THR 125 N -3.61 0.00 -2.56 0.00 -2.24 -1.26 -4.90 114.28 99.71 1hfw n THR 125 Ca 0.07 -0.23 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 1hfw n THR 125 Cb 0.62 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 1hfw n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1hfw s ALA 126 N -2.11 2.95 0.21 6.98 0.00 0.55 -5.01 121.76 125.33 1hfw s ALA 126 Ca 0.34 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 1hfw s ALA 126 Cb 0.21 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 20.05 1hfw s ALA 126 CO 0.38 -0.20 1.29 0.42 0.00 0.00 0.00 175.76 177.64 1hfw s ILE 127 N -2.22 3.24 -1.20 0.00 1.01 -1.26 -2.76 121.20 118.01 1hfw s ILE 127 Ca 0.63 1.04 -0.08 0.00 0.00 0.00 0.00 60.65 62.25 1hfw s ILE 127 Cb -0.13 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1hfw s ILE 127 CO 0.21 0.16 1.05 -1.20 0.00 0.00 0.00 174.94 175.17 1hfw n SER 128 N 2.47 -5.70 -4.77 3.58 7.64 -1.26 -4.94 113.62 110.65 1hfw n SER 128 Ca 0.05 -0.48 -0.41 0.00 1.01 0.00 0.00 58.87 59.04 1hfw n SER 128 Cb 0.43 -4.54 -0.01 0.00 -1.01 0.00 0.00 64.21 59.08 1hfw n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1hfw s ALA 129 N -3.29 3.66 -0.61 -0.43 0.00 -1.11 -4.93 121.76 115.06 1hfw s ALA 129 Ca 0.49 1.59 0.24 0.00 0.00 0.00 0.00 51.96 54.28 1hfw s ALA 129 Cb -0.22 -3.63 0.30 0.00 0.00 0.00 0.00 23.12 19.57 1hfw s ALA 129 CO 0.65 -1.04 1.28 0.38 0.00 0.00 0.00 175.76 177.04 1hfw h ASP 130 N 3.91 0.00 -0.31 0.00 2.03 -1.89 -3.40 116.42 116.77 1hfw h ASP 130 Ca -0.49 -0.21 0.05 0.00 -0.73 0.00 0.00 57.03 55.66 1hfw h ASP 130 Cb 1.23 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.68 1hfw h ASP 130 CO 0.72 0.10 -0.00 1.23 -1.03 0.00 0.00 179.24 180.26 1hfw h GLY 131 N 4.47 0.29 0.31 7.15 0.00 -1.86 -2.06 103.07 111.38 1hfw h GLY 131 Ca 0.00 0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.41 1hfw h GLY 131 CO 0.00 -0.07 -0.22 -2.55 0.00 0.00 0.00 176.54 173.71 1hfw h PRO 132 N 0.09 -0.26 -0.57 4.80 0.11 -1.94 -0.76 132.00 133.48 1hfw h PRO 132 Ca 0.15 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.19 1hfw h PRO 132 Cb 0.20 0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.34 1hfw h PRO 132 CO -0.25 -0.17 0.01 1.98 -0.21 0.00 0.00 178.00 179.36 1hfw h MET 133 N -0.27 0.97 -0.75 1.05 1.85 -1.83 -2.30 114.93 113.66 1hfw h MET 133 Ca 0.11 -0.29 0.02 0.00 -0.61 0.00 0.00 59.70 58.93 1hfw h MET 133 Cb 0.42 -0.10 -0.04 0.00 0.43 0.00 0.00 31.60 32.31 1hfw h MET 133 CO -0.30 0.95 0.48 -0.91 -0.40 0.00 0.00 176.91 176.73 1hfw h ASN 134 N 0.89 0.81 -0.44 1.39 2.35 -1.00 -1.32 115.58 118.26 1hfw h ASN 134 Ca 0.17 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 1hfw h ASN 134 Cb 0.51 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1hfw h ASN 134 CO 0.03 0.57 0.10 0.25 -1.65 0.00 0.00 177.43 176.72 1hfw h LEU 135 N 0.96 0.68 -0.74 1.61 5.85 -0.95 -1.21 115.31 121.50 1hfw h LEU 135 Ca 0.29 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1hfw h LEU 135 Cb -0.04 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1hfw h LEU 135 CO -0.09 0.75 0.45 0.25 -0.34 0.00 0.00 178.44 179.46 1hfw h LEU 136 N 0.59 0.89 -0.60 2.25 5.85 -1.12 -1.99 115.31 121.18 1hfw h LEU 136 Ca 0.14 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1hfw h LEU 136 Cb 0.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1hfw h LEU 136 CO 0.00 0.70 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.47 1hfw h GLU 137 N 1.02 1.07 -0.65 1.25 5.08 -1.04 -2.20 114.58 119.10 1hfw h GLU 137 Ca 0.27 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1hfw h GLU 137 Cb -0.03 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1hfw h GLU 137 CO -0.05 1.05 0.19 0.00 -1.00 0.00 0.00 179.01 179.20 1hfw h ALA 138 N 0.98 1.10 -0.43 3.43 0.00 -0.92 -1.46 119.26 121.96 1hfw h ALA 138 Ca 0.17 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1hfw h ALA 138 Cb 0.57 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1hfw h ALA 138 CO 0.03 0.61 -0.24 0.28 0.00 0.00 0.00 179.25 179.93 1hfw h VAL 139 N 0.97 1.27 -0.59 0.00 2.07 -1.25 -1.08 116.25 117.65 1hfw h VAL 139 Ca 0.21 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1hfw h VAL 139 Cb 0.29 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1hfw h VAL 139 CO -0.01 0.47 0.30 -0.09 0.02 0.00 0.00 177.57 178.26 1hfw h ARG 140 N 0.76 0.83 -0.27 1.57 2.43 -1.00 -1.73 114.38 116.98 1hfw h ARG 140 Ca 0.10 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 1hfw h ARG 140 Cb 0.79 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1hfw h ARG 140 CO 0.07 0.66 0.00 0.28 -1.51 0.00 0.00 179.97 179.47 1hfw h VAL 141 N 0.80 1.26 0.00 0.20 2.07 -1.11 -2.62 116.25 116.84 1hfw h VAL 141 Ca 0.20 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1hfw h VAL 141 Cb 0.09 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1hfw h VAL 141 CO -0.03 0.29 -0.15 0.00 0.02 0.00 0.00 177.57 177.70 1hfw h ALA 142 N 0.82 1.66 0.00 1.67 0.00 -1.06 -2.83 119.26 119.52 1hfw h ALA 142 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hfw h ALA 142 Cb 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1hfw h ALA 142 CO 0.01 0.19 -0.56 0.41 0.00 0.00 0.00 179.25 179.30 1hfw n GLY 143 N -1.03 -1.28 3.71 0.00 0.00 -0.66 -4.53 105.19 101.40 1hfw n GLY 143 Ca -0.02 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1hfw n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1hfw s ASP 144 N -3.29 7.31 0.53 1.61 -1.08 -1.00 -4.86 116.67 115.88 1hfw s ASP 144 Ca 0.10 1.58 0.18 0.00 -0.52 0.00 0.00 52.55 53.89 1hfw s ASP 144 Cb 0.17 -2.54 1.34 0.00 -1.46 0.00 0.00 42.92 40.42 1hfw s ASP 144 CO 0.71 -0.22 2.15 0.50 0.52 0.00 0.00 175.17 178.84 1hfw h LYS 145 N 6.70 0.00 0.00 4.34 3.11 -1.90 -1.59 116.57 127.23 1hfw h LYS 145 Ca -0.41 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.43 1hfw h LYS 145 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.45 1hfw h LYS 145 CO 0.75 0.01 0.00 0.00 -2.81 0.00 0.00 179.45 177.40 1hfw n GLN 146 N -4.41 0.48 0.00 1.90 10.64 -1.26 -3.01 117.38 121.72 1hfw n GLN 146 Ca -0.03 0.04 0.14 0.00 -1.83 0.00 0.00 57.00 55.31 1hfw n GLN 146 Cb 0.10 -1.50 0.51 0.00 -0.86 0.00 0.00 30.24 28.49 1hfw n GLN 146 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1hfw n SER 147 N -1.20 0.49 -4.76 2.61 7.64 -0.60 -4.93 113.62 112.87 1hfw n SER 147 Ca 0.14 -0.41 -0.38 0.00 1.01 0.00 0.00 58.87 59.22 1hfw n SER 147 Cb 0.17 -0.04 0.02 0.00 -1.01 0.00 0.00 64.21 63.34 1hfw n SER 147 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1hfw s ARG 148 N -2.65 3.50 -1.66 1.43 0.52 -1.17 -3.79 118.95 115.14 1hfw s ARG 148 Ca 0.23 2.10 -0.00 0.00 -0.52 0.00 0.00 55.73 57.54 1hfw s ARG 148 Cb 0.19 -2.41 0.00 0.00 0.52 0.00 0.00 34.95 33.25 1hfw s ARG 148 CO 0.53 -0.86 0.01 0.41 0.02 0.00 0.00 175.30 175.41 1hfw n GLY 149 N 0.62 -0.50 0.76 -3.53 0.00 -0.35 -4.89 105.19 97.29 1hfw n GLY 149 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1hfw n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hfw n ARG 150 N -3.00 1.67 0.00 1.61 1.74 -1.25 -5.07 116.66 112.36 1hfw n ARG 150 Ca -0.23 -1.68 0.00 0.00 -0.77 0.00 0.00 57.85 55.18 1hfw n ARG 150 Cb 0.67 -1.36 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1hfw n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hfw n GLY 151 N 1.04 -0.37 3.76 -0.13 0.00 -1.26 -4.80 105.19 103.42 1hfw n GLY 151 Ca 0.12 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.90 1hfw n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 152 N -1.11 3.35 0.23 1.61 1.01 -1.26 -4.67 120.40 119.55 1hfw s VAL 152 Ca 0.00 1.30 0.10 0.00 0.00 0.00 0.00 61.98 63.39 1hfw s VAL 152 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 1hfw s VAL 152 CO 0.00 0.29 -0.19 -0.04 0.00 0.00 0.00 175.10 175.16 1hfw s MET 153 N -1.23 1.50 -0.15 2.72 1.00 -0.90 -1.68 119.30 120.56 1hfw s MET 153 Ca 0.47 -1.63 0.01 0.00 0.00 0.00 0.00 55.69 54.54 1hfw s MET 153 Cb -0.34 -1.53 0.02 0.00 0.00 0.00 0.00 34.83 32.98 1hfw s MET 153 CO 0.42 0.29 -0.15 0.08 0.00 0.00 0.00 175.02 175.66 1hfw s VAL 154 N -2.44 1.65 -0.21 -6.03 1.01 0.04 -0.87 120.40 113.56 1hfw s VAL 154 Ca 0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1hfw s VAL 154 Cb -0.04 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1hfw s VAL 154 CO 0.11 0.47 -0.07 -0.69 0.00 0.00 0.00 175.10 174.92 1hfw s VAL 155 N 1.39 3.20 -0.23 2.92 1.01 -0.69 -1.04 120.40 126.96 1hfw s VAL 155 Ca 0.03 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.19 1hfw s VAL 155 Cb -0.13 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 33.92 1hfw s VAL 155 CO -0.10 0.44 0.94 -0.51 0.00 0.00 0.00 175.10 175.87 1hfw s ILE 156 N 1.37 0.00 -1.37 2.22 2.07 -0.98 -4.27 121.20 120.25 1hfw s ILE 156 Ca 0.05 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1hfw s ILE 156 Cb -0.14 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.47 1hfw s ILE 156 CO -0.04 0.00 0.83 -3.20 -1.91 0.00 0.00 174.94 170.62 1hfw n ASN 157 N 1.82 -2.55 0.00 4.50 5.15 -1.26 -1.75 115.26 121.18 1hfw n ASN 157 Ca -0.13 -0.78 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 1hfw n ASN 157 Cb 0.56 -4.13 0.00 0.00 -0.53 0.00 0.00 39.78 35.68 1hfw n ASN 157 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1hfw n ASP 158 N -3.00 -3.16 -4.62 1.20 8.00 -1.26 -4.99 116.55 108.73 1hfw n ASP 158 Ca -0.19 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.04 1hfw n ASP 158 Cb 0.63 -2.25 -0.09 0.00 -0.02 0.00 0.00 41.12 39.39 1hfw n ASP 158 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1hfw s ARG 159 N -1.12 2.25 -0.24 -1.24 1.81 -0.72 -1.16 118.95 118.53 1hfw s ARG 159 Ca 0.00 -1.16 0.03 0.00 -1.72 0.00 0.00 55.73 52.88 1hfw s ARG 159 Cb 0.00 -2.28 0.05 0.00 -0.45 0.00 0.00 34.95 32.27 1hfw s ARG 159 CO 0.00 0.45 -0.13 0.42 -0.68 0.00 0.00 175.30 175.37 1hfw s ILE 160 N -1.66 2.14 0.09 1.52 1.01 -0.51 -2.32 121.20 121.46 1hfw s ILE 160 Ca 0.26 -1.49 0.08 0.00 0.00 0.00 0.00 60.65 59.49 1hfw s ILE 160 Cb -0.09 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1hfw s ILE 160 CO 0.17 0.08 -0.14 -0.83 0.00 0.00 0.00 174.94 174.22 1hfw s GLY 161 N 1.14 1.72 0.24 6.18 0.00 -0.21 -0.39 107.32 116.02 1hfw s GLY 161 Ca -0.06 -1.26 -0.30 0.00 0.00 0.00 0.00 44.72 43.10 1hfw s GLY 161 CO -0.07 -1.23 0.99 -0.45 0.00 0.00 0.00 173.10 172.35 1hfw s SER 162 N -2.03 7.52 0.53 1.64 0.15 -1.26 -0.78 113.70 119.46 1hfw s SER 162 Ca 0.19 2.04 0.19 0.00 0.70 0.00 0.00 55.95 59.06 1hfw s SER 162 Cb -0.11 -2.61 1.34 0.00 -1.71 0.00 0.00 66.02 62.93 1hfw s SER 162 CO 0.11 0.05 2.12 0.00 1.20 0.00 0.00 173.24 176.72 1hfw h ALA 163 N 4.18 2.07 0.00 5.45 0.00 -1.66 -0.43 119.26 128.87 1hfw h ALA 163 Ca -0.45 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.34 1hfw h ALA 163 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1hfw h ALA 163 CO 0.68 -0.14 -0.54 -0.09 0.00 0.00 0.00 179.25 179.16 1hfw h ARG 164 N 0.00 0.00 0.00 0.00 9.65 -1.92 -3.37 114.38 118.74 1hfw h ARG 164 Ca 0.05 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.75 1hfw h ARG 164 Cb 0.22 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 1hfw h ARG 164 CO -0.00 0.54 -1.72 0.66 2.80 0.00 0.00 179.97 182.25 1hfw n TYR 165 N -3.87 0.00 -2.17 2.20 4.01 -0.87 -4.98 117.16 111.48 1hfw n TYR 165 Ca -0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.34 1hfw n TYR 165 Cb 0.55 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 1hfw n TYR 165 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 1hfw s ILE 166 N -2.27 2.89 0.09 -0.72 1.10 -0.22 -4.62 121.20 117.44 1hfw s ILE 166 Ca -0.05 0.75 -0.21 0.00 -0.51 0.00 0.00 60.65 60.62 1hfw s ILE 166 Cb 0.03 -3.42 0.05 0.00 0.15 0.00 0.00 42.46 39.28 1hfw s ILE 166 CO 0.43 0.07 0.51 0.28 -2.11 0.00 0.00 174.94 174.12 1hfw s THR 167 N -1.37 0.03 -0.38 4.00 -1.32 -1.20 -4.90 115.64 110.51 1hfw s THR 167 Ca 0.59 -0.27 -0.27 0.00 -1.21 0.00 0.00 61.69 60.53 1hfw s THR 167 Cb -0.34 -1.02 0.02 0.00 -1.51 0.00 0.00 72.50 69.65 1hfw s THR 167 CO 0.42 -0.15 0.99 -0.75 -2.21 0.00 0.00 174.62 172.92 1hfw s LYS 168 N -3.00 3.85 0.01 7.08 2.20 -1.26 -2.62 119.74 126.00 1hfw s LYS 168 Ca -0.02 0.65 0.22 0.00 -0.36 0.00 0.00 55.97 56.46 1hfw s LYS 168 Cb -0.00 -3.81 -0.18 0.00 -1.51 0.00 0.00 37.83 32.33 1hfw s LYS 168 CO -0.06 -1.02 0.79 0.25 -0.36 0.00 0.00 175.35 174.94 1hfw n THR 169 N 6.11 0.08 -4.51 3.43 -2.24 -0.70 -4.93 114.28 111.52 1hfw n THR 169 Ca 0.09 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 1hfw n THR 169 Cb 0.48 0.32 -0.15 0.00 -2.10 0.00 0.00 70.33 68.88 1hfw n THR 169 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hfw s ASN 170 N -3.96 1.41 0.37 3.42 3.84 -1.26 -5.05 114.94 113.71 1hfw s ASN 170 Ca 0.00 -0.22 0.05 0.00 0.21 0.00 0.00 52.86 52.90 1hfw s ASN 170 Cb 0.14 -0.26 0.70 0.00 -0.55 0.00 0.00 41.25 41.29 1hfw s ASN 170 CO 0.86 0.12 1.97 0.00 -2.79 0.00 0.00 177.10 177.26 1hfw h ALA 171 N 6.08 1.53 0.00 1.71 0.00 -1.97 -3.39 119.26 123.22 1hfw h ALA 171 Ca -0.33 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1hfw h ALA 171 Cb 1.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1hfw h ALA 171 CO 0.49 0.37 0.00 0.43 0.00 0.00 0.00 179.25 180.54 1hfw n SER 172 N -4.39 0.24 -4.93 0.00 7.64 -1.26 -5.12 113.62 105.81 1hfw n SER 172 Ca 0.03 -0.98 -0.25 0.00 1.01 0.00 0.00 58.87 58.68 1hfw n SER 172 Cb 0.13 0.01 -0.01 0.00 -1.01 0.00 0.00 64.21 63.33 1hfw n SER 172 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1hfw s THR 173 N -0.01 5.02 0.31 0.44 -4.23 -1.26 -5.01 115.64 110.91 1hfw s THR 173 Ca 0.00 -0.16 0.08 0.00 -1.18 0.00 0.00 61.69 60.42 1hfw s THR 173 Cb 0.00 -3.86 0.06 0.00 1.34 0.00 0.00 72.50 70.04 1hfw s THR 173 CO 0.00 -0.69 1.74 -0.07 -0.54 0.00 0.00 174.62 175.06 1hfw h LEU 174 N 0.52 0.22 -2.96 4.79 3.38 -1.96 -3.04 115.31 116.26 1hfw h LEU 174 Ca -0.48 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.24 1hfw h LEU 174 Cb 1.21 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 1hfw h LEU 174 CO 0.61 0.58 0.21 -0.90 0.09 0.00 0.00 178.44 179.03 1hfw n ASP 175 N -4.06 3.77 -0.30 -0.43 5.75 -1.26 -4.62 116.55 115.39 1hfw n ASP 175 Ca -0.01 -2.81 0.01 0.00 -0.01 0.00 0.00 54.79 51.97 1hfw n ASP 175 Cb 0.44 -0.67 0.20 0.00 -1.03 0.00 0.00 41.12 40.06 1hfw n ASP 175 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hfw h THR 176 N 1.61 1.16 -3.28 2.12 1.03 -1.85 -3.42 112.91 110.27 1hfw h THR 176 Ca 0.20 -0.39 -0.57 0.00 -0.01 0.00 0.00 66.41 65.65 1hfw h THR 176 Cb 1.82 -0.07 -0.05 0.00 -1.07 0.00 0.00 68.15 68.78 1hfw h THR 176 CO 0.51 0.21 0.97 -0.36 -0.01 0.00 0.00 175.52 176.84 1hfw s PHE 177 N -5.96 2.69 0.10 0.00 0.40 -1.26 -1.72 117.98 112.22 1hfw s PHE 177 Ca -0.12 0.83 -0.10 0.00 -0.60 0.00 0.00 56.93 56.95 1hfw s PHE 177 Cb 0.19 -4.07 0.00 0.00 0.51 0.00 0.00 43.02 39.66 1hfw s PHE 177 CO 0.80 -1.61 0.23 1.03 0.70 0.00 0.00 175.22 176.37 1hfw s ARG 178 N 4.34 0.89 -0.51 0.44 0.52 -1.08 -4.95 118.95 118.60 1hfw s ARG 178 Ca 0.55 -0.92 0.03 0.00 -0.52 0.00 0.00 55.73 54.87 1hfw s ARG 178 Cb -0.14 0.36 0.15 0.00 0.52 0.00 0.00 34.95 35.85 1hfw s ARG 178 CO 0.26 -0.30 0.34 0.00 0.02 0.00 0.00 175.30 175.63 1hfw s ALA 179 N -3.85 2.46 0.26 2.13 0.00 -1.26 -3.22 121.76 118.27 1hfw s ALA 179 Ca 0.05 -2.93 -0.04 0.00 0.00 0.00 0.00 51.96 49.03 1hfw s ALA 179 Cb 0.04 -1.89 0.52 0.00 0.00 0.00 0.00 23.12 21.79 1hfw s ALA 179 CO -0.11 -2.05 1.64 -0.91 0.00 0.00 0.00 175.76 174.33 1hfw h ASN 180 N 6.04 -0.25 0.53 0.00 2.35 -1.91 0.34 115.58 122.67 1hfw h ASN 180 Ca 0.11 0.20 -0.10 0.00 -0.55 0.00 0.00 56.30 55.96 1hfw h ASN 180 Cb 0.87 0.32 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1hfw h ASN 180 CO 0.52 -0.17 -1.56 -0.62 -1.65 0.00 0.00 177.43 173.95 1hfw n GLU 181 N -5.31 0.63 -0.01 0.81 -0.58 -1.26 -4.44 120.64 110.49 1hfw n GLU 181 Ca 0.16 0.06 0.11 0.00 -0.42 0.00 0.00 57.16 57.07 1hfw n GLU 181 Cb 0.54 -1.71 -0.15 0.00 -0.57 0.00 0.00 31.44 29.55 1hfw n GLU 181 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1hfw n GLU 182 N -2.65 0.41 -0.25 3.49 4.71 -0.99 -5.10 120.64 120.24 1hfw n GLU 182 Ca -0.08 -0.12 0.03 0.00 -0.01 0.00 0.00 57.16 56.98 1hfw n GLU 182 Cb 0.73 -1.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.63 1hfw n GLU 182 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1hfw n GLY 183 N 1.35 -1.65 3.95 0.62 0.00 0.12 -4.90 105.19 104.67 1hfw n GLY 183 Ca -0.01 -1.23 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 1hfw n GLY 183 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1hfw s TYR 184 N -0.53 3.47 0.23 1.61 2.02 -1.26 -4.60 117.35 118.29 1hfw s TYR 184 Ca 0.00 0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.86 1hfw s TYR 184 Cb 0.00 -1.69 0.22 0.00 -0.40 0.00 0.00 41.96 40.09 1hfw s TYR 184 CO 0.00 0.43 1.55 -0.07 -1.57 0.00 0.00 175.55 175.89 1hfw h LEU 185 N 1.67 0.33 -7.99 -1.29 3.38 -1.02 -3.39 115.31 106.99 1hfw h LEU 185 Ca -0.50 -0.19 0.29 0.00 0.09 0.00 0.00 57.88 57.58 1hfw h LEU 185 Cb 1.21 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 1hfw h LEU 185 CO 0.65 0.85 0.81 -0.83 0.09 0.00 0.00 178.44 180.02 1hfw s GLY 186 N -4.30 -0.04 0.09 0.83 0.00 -1.16 0.00 107.32 102.75 1hfw s GLY 186 Ca -0.04 -0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1hfw s GLY 186 CO 0.81 4.95 -0.04 -1.34 0.00 0.00 0.00 173.10 177.47 1hfw s VAL 187 N -2.03 0.49 -0.22 1.40 -7.23 -0.61 -1.42 120.40 110.78 1hfw s VAL 187 Ca 0.28 -1.89 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1hfw s VAL 187 Cb -0.01 -1.67 0.05 0.00 0.56 0.00 0.00 36.38 35.31 1hfw s VAL 187 CO 0.01 -0.88 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.22 1hfw s ILE 188 N -3.76 1.66 -0.04 -0.62 1.01 -0.30 -1.01 121.20 118.14 1hfw s ILE 188 Ca 0.11 -1.19 0.02 0.00 0.00 0.00 0.00 60.65 59.60 1hfw s ILE 188 Cb 0.06 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1hfw s ILE 188 CO -0.06 0.02 -0.10 -0.63 0.00 0.00 0.00 174.94 174.17 1hfw s ILE 189 N 1.36 0.94 -1.41 2.92 -1.09 -0.82 -4.79 121.20 118.31 1hfw s ILE 189 Ca -0.04 -0.41 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1hfw s ILE 189 Cb -0.18 -0.86 0.04 0.00 -1.58 0.00 0.00 42.46 39.88 1hfw s ILE 189 CO -0.07 0.30 0.98 0.61 -1.23 0.00 0.00 174.94 175.53 1hfw n GLY 190 N 3.56 -0.45 2.50 6.18 0.00 -1.26 -1.96 105.19 113.76 1hfw n GLY 190 Ca -0.21 0.19 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1hfw n GLY 190 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1hfw n ASN 191 N -2.96 -5.24 -4.11 1.61 3.02 -1.26 -4.99 115.26 101.33 1hfw n ASN 191 Ca -0.07 0.37 -0.22 0.00 -0.03 0.00 0.00 54.58 54.63 1hfw n ASN 191 Cb 0.58 -4.35 -0.15 0.00 -0.61 0.00 0.00 39.78 35.25 1hfw n ASN 191 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1hfw s ARG 192 N -3.81 1.14 -0.14 3.52 3.52 -0.83 -5.13 118.95 117.22 1hfw s ARG 192 Ca 0.00 -0.52 -0.14 0.00 -0.13 0.00 0.00 55.73 54.94 1hfw s ARG 192 Cb 0.00 -1.10 -0.05 0.00 -1.56 0.00 0.00 34.95 32.24 1hfw s ARG 192 CO 0.00 0.30 0.33 0.42 -0.81 0.00 0.00 175.30 175.54 1hfw s ILE 193 N -0.35 5.27 -0.35 4.11 1.01 -1.26 -1.95 121.20 127.68 1hfw s ILE 193 Ca 0.05 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.35 1hfw s ILE 193 Cb -0.06 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.85 1hfw s ILE 193 CO -0.00 0.40 0.08 -0.31 0.00 0.00 0.00 174.94 175.10 1hfw s TYR 194 N 0.34 3.70 -0.02 3.97 1.51 -0.18 -5.01 117.35 121.67 1hfw s TYR 194 Ca 0.19 -2.83 -0.26 0.00 -1.01 0.00 0.00 57.07 53.16 1hfw s TYR 194 Cb -0.14 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.74 1hfw s TYR 194 CO 0.06 -0.95 0.79 0.71 -1.11 0.00 0.00 175.55 175.05 1hfw s TYR 195 N 0.97 3.64 -0.13 2.71 2.02 -1.26 -1.57 117.35 123.73 1hfw s TYR 195 Ca 0.09 1.42 -0.01 0.00 -0.37 0.00 0.00 57.07 58.21 1hfw s TYR 195 Cb -0.20 -2.89 -0.08 0.00 -0.40 0.00 0.00 41.96 38.39 1hfw s TYR 195 CO -0.07 0.11 -0.12 1.04 -1.57 0.00 0.00 175.55 174.93 1hfw n GLN 196 N 3.57 0.31 -4.29 -0.62 6.02 0.10 -4.97 117.38 117.50 1hfw n GLN 196 Ca 0.00 0.08 -0.15 0.00 -0.01 0.00 0.00 57.00 56.92 1hfw n GLN 196 Cb 0.51 -1.20 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 1hfw n GLN 196 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1hfw s ASN 197 N -5.42 1.34 -0.06 1.08 0.01 -0.88 -5.04 114.94 105.98 1hfw s ASN 197 Ca -0.17 -1.26 0.02 0.00 -0.71 0.00 0.00 52.86 50.73 1hfw s ASN 197 Cb 0.05 0.11 0.02 0.00 0.41 0.00 0.00 41.25 41.84 1hfw s ASN 197 CO 0.28 -0.62 -0.08 -0.13 -1.51 0.00 0.00 177.10 175.04 1hfw s ARG 198 N -3.95 1.29 0.45 -0.60 0.52 -1.26 -4.79 118.95 110.61 1hfw s ARG 198 Ca 0.30 -0.26 -0.23 0.00 -0.52 0.00 0.00 55.73 55.02 1hfw s ARG 198 Cb 0.07 -1.15 -0.08 0.00 0.52 0.00 0.00 34.95 34.31 1hfw s ARG 198 CO 0.09 -0.03 1.14 0.96 0.02 0.00 0.00 175.30 177.48 1hfw s ILE 199 N 0.81 3.23 -0.92 1.52 -4.36 -1.26 -4.94 121.20 115.27 1hfw s ILE 199 Ca -0.12 0.92 -0.01 0.00 -0.26 0.00 0.00 60.65 61.17 1hfw s ILE 199 Cb -0.15 -3.46 0.34 0.00 1.25 0.00 0.00 42.46 40.43 1hfw s ILE 199 CO 0.02 -0.01 1.89 -0.67 0.24 0.00 0.00 174.94 176.40 1hfw n ASP 200 N -0.43 7.32 -4.12 4.36 2.03 -1.26 -4.94 116.55 119.51 1hfw n ASP 200 Ca 0.07 -3.76 -0.09 0.00 0.52 0.00 0.00 54.79 51.53 1hfw n ASP 200 Cb 0.48 -1.09 -0.10 0.00 -0.72 0.00 0.00 41.12 39.69 1hfw n ASP 200 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1hfw s LYS 201 N -4.18 0.83 0.30 -0.67 -0.14 -1.26 -5.05 119.74 109.56 1hfw s LYS 201 Ca 0.45 -1.36 -0.19 0.00 -1.36 0.00 0.00 55.97 53.52 1hfw s LYS 201 Cb 0.31 0.23 -0.09 0.00 -1.68 0.00 0.00 37.83 36.61 1hfw s LYS 201 CO -0.26 -0.21 0.78 -0.51 -0.76 0.00 0.00 175.35 174.38 1hfw s LEU 202 N -3.00 4.18 0.18 3.17 1.43 -0.69 -5.03 118.68 118.92 1hfw s LEU 202 Ca 0.18 1.44 -0.23 0.00 -1.03 0.00 0.00 54.13 54.49 1hfw s LEU 202 Cb 0.08 -3.95 0.07 0.00 0.03 0.00 0.00 46.19 42.42 1hfw s LEU 202 CO -0.02 -0.12 0.98 -1.38 0.23 0.00 0.00 176.35 176.03 1hfw s HIS 203 N -1.80 -0.03 0.00 0.29 -3.43 -1.26 -4.68 115.29 104.38 1hfw s HIS 203 Ca 0.51 -0.34 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 1hfw s HIS 203 Cb -0.13 0.68 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 1hfw s HIS 203 CO 0.19 -0.93 0.00 0.25 -2.00 0.00 0.00 174.74 172.25 1hfw n THR 204 N -0.56 0.00 0.28 -5.38 -2.24 -0.38 -1.10 114.28 104.90 1hfw n THR 204 Ca -0.05 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.91 1hfw n THR 204 Cb 0.60 0.00 0.90 0.00 -2.10 0.00 0.00 70.33 69.73 1hfw n THR 204 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1hfw h THR 205 N 0.00 0.14 -0.27 4.28 1.35 -1.76 -1.87 112.91 114.77 1hfw h THR 205 Ca 0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.82 1hfw h THR 205 Cb 0.00 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.16 1hfw h THR 205 CO 0.00 0.00 -0.00 -2.11 -0.25 0.00 0.00 175.52 173.16 1hfw n ARG 206 N -3.21 2.63 -3.55 4.72 1.85 -0.26 -5.00 116.66 113.84 1hfw n ARG 206 Ca -0.00 -2.89 -0.34 0.00 -1.00 0.00 0.00 57.85 53.61 1hfw n ARG 206 Cb 0.33 -1.83 -0.05 0.00 -1.05 0.00 0.00 32.46 29.86 1hfw n ARG 206 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1hfw s SER 207 N -2.09 6.64 0.05 2.89 0.15 -0.70 -4.63 113.70 116.01 1hfw s SER 207 Ca 0.42 0.81 0.26 0.00 0.70 0.00 0.00 55.95 58.14 1hfw s SER 207 Cb 0.35 -2.18 0.61 0.00 -1.71 0.00 0.00 66.02 63.09 1hfw s SER 207 CO 0.07 0.14 1.50 1.33 1.20 0.00 0.00 173.24 177.47 1hfw n VAL 208 N 0.74 0.14 -2.24 4.45 0.24 -1.26 -4.86 118.33 115.53 1hfw n VAL 208 Ca -0.07 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.34 61.71 1hfw n VAL 208 Cb 0.52 -0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 1hfw n VAL 208 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1hfw s PHE 209 N -3.05 2.20 -0.21 6.34 0.08 -1.26 -4.99 117.98 117.08 1hfw s PHE 209 Ca 0.10 0.65 -0.05 0.00 0.12 0.00 0.00 56.93 57.75 1hfw s PHE 209 Cb 0.16 -4.26 -0.02 0.00 -0.57 0.00 0.00 43.02 38.33 1hfw s PHE 209 CO 0.67 -2.28 -0.01 0.34 -0.10 0.00 0.00 175.22 173.84 1hfw s ASP 210 N 4.68 4.61 -0.07 1.36 -1.08 -1.26 -4.62 116.67 120.29 1hfw s ASP 210 Ca 0.66 -0.29 0.10 0.00 -0.52 0.00 0.00 52.55 52.51 1hfw s ASP 210 Cb -0.16 -1.79 0.24 0.00 -1.46 0.00 0.00 42.92 39.75 1hfw s ASP 210 CO 0.32 0.02 1.17 1.33 0.52 0.00 0.00 175.17 178.54 1hfw n VAL 211 N 4.55 1.47 -1.74 1.11 0.24 -1.26 -5.01 118.33 117.69 1hfw n VAL 211 Ca -0.17 -1.49 -0.42 0.00 -2.04 0.00 0.00 64.34 60.22 1hfw n VAL 211 Cb 0.51 0.17 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 1hfw n VAL 211 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1hfw n ARG 212 N -0.52 2.77 0.00 7.34 1.74 -1.26 -2.66 116.66 124.08 1hfw n ARG 212 Ca 0.11 0.99 0.00 0.00 -0.77 0.00 0.00 57.85 58.18 1hfw n ARG 212 Cb 0.51 -2.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.14 1hfw n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hfw n GLY 213 N 2.95 2.94 3.77 -0.13 0.00 -1.26 -5.02 105.19 108.44 1hfw n GLY 213 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1hfw n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfw s LEU 214 N 0.00 3.88 -0.00 0.99 1.43 -1.09 -4.96 118.68 118.93 1hfw s LEU 214 Ca 0.00 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.40 1hfw s LEU 214 Cb 0.00 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.79 1hfw s LEU 214 CO 0.00 -1.11 0.05 0.35 0.23 0.00 0.00 176.35 175.87 1hfw n THR 215 N -0.91 0.00 -3.95 5.49 -2.24 -1.26 -4.98 114.28 106.43 1hfw n THR 215 Ca 0.10 -0.14 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 1hfw n THR 215 Cb 0.49 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.26 1hfw n THR 215 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1hfw s SER 216 N -1.94 -0.06 0.20 3.42 1.04 -1.26 -4.88 113.70 110.21 1hfw s SER 216 Ca -0.00 -0.85 0.08 0.00 0.48 0.00 0.00 55.95 55.65 1hfw s SER 216 Cb 0.01 0.52 -0.05 0.00 0.10 0.00 0.00 66.02 66.61 1hfw s SER 216 CO 0.07 -1.03 -0.15 -0.76 0.98 0.00 0.00 173.24 172.36 1hfw s LEU 217 N -2.98 2.55 0.45 2.42 1.43 -1.26 -5.10 118.68 116.18 1hfw s LEU 217 Ca 0.19 -1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 52.03 1hfw s LEU 217 Cb 0.01 -0.68 -0.08 0.00 0.03 0.00 0.00 46.19 45.47 1hfw s LEU 217 CO 0.04 -0.16 1.40 -2.84 0.23 0.00 0.00 176.35 175.02 1hfw s PRO 218 N -3.57 3.69 -0.10 1.29 0.02 -1.26 -4.95 135.00 130.12 1hfw s PRO 218 Ca 0.22 2.36 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 1hfw s PRO 218 Cb -0.01 -2.64 -0.02 0.00 0.02 0.00 0.00 34.50 31.85 1hfw s PRO 218 CO 0.07 -0.79 1.09 0.21 -0.33 0.00 0.00 177.00 177.25 1hfw s LYS 219 N -2.45 4.38 -0.05 5.54 2.47 -1.26 -4.88 119.74 123.49 1hfw s LYS 219 Ca 0.61 1.50 -0.01 0.00 -1.56 0.00 0.00 55.97 56.52 1hfw s LYS 219 Cb -0.43 -3.56 0.03 0.00 -1.46 0.00 0.00 37.83 32.41 1hfw s LYS 219 CO 0.54 -0.40 0.01 0.08 0.16 0.00 0.00 175.35 175.74 1hfw s VAL 220 N 2.23 0.21 0.33 4.02 1.01 -1.26 -0.33 120.40 126.61 1hfw s VAL 220 Ca 0.51 0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.72 1hfw s VAL 220 Cb -0.20 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1hfw s VAL 220 CO 0.18 0.19 0.18 -1.81 0.00 0.00 0.00 175.10 173.85 1hfw s ASP 221 N 1.53 4.86 -0.08 3.32 1.01 -1.05 -4.97 116.67 121.30 1hfw s ASP 221 Ca -0.02 -0.68 0.04 0.00 0.71 0.00 0.00 52.55 52.60 1hfw s ASP 221 Cb -0.13 -0.82 -0.00 0.00 1.01 0.00 0.00 42.92 42.98 1hfw s ASP 221 CO -0.03 -0.30 -0.23 -0.63 0.21 0.00 0.00 175.17 174.20 1hfw s ILE 222 N -2.38 1.92 -0.04 0.77 1.01 -1.26 -0.80 121.20 120.42 1hfw s ILE 222 Ca 0.38 -0.95 0.06 0.00 0.00 0.00 0.00 60.65 60.14 1hfw s ILE 222 Cb -0.04 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.76 1hfw s ILE 222 CO 0.24 0.53 -0.23 -0.76 0.00 0.00 0.00 174.94 174.72 1hfw s LEU 223 N 0.25 2.20 0.34 2.97 1.43 -0.29 -4.97 118.68 120.60 1hfw s LEU 223 Ca -0.14 -0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1hfw s LEU 223 Cb -0.16 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 1hfw s LEU 223 CO 0.07 0.30 0.76 -0.47 0.23 0.00 0.00 176.35 177.24 1hfw s TYR 224 N -0.46 3.37 -0.14 0.29 5.04 -1.26 -0.93 117.35 123.25 1hfw s TYR 224 Ca 0.05 1.26 -0.02 0.00 -2.44 0.00 0.00 57.07 55.92 1hfw s TYR 224 Cb -0.11 -2.57 -0.02 0.00 0.35 0.00 0.00 41.96 39.60 1hfw s TYR 224 CO 0.01 0.07 -0.06 0.20 -1.34 0.00 0.00 175.55 174.42 1hfw s GLY 225 N -2.28 1.67 0.17 8.97 0.00 -0.50 -4.88 107.32 110.47 1hfw s GLY 225 Ca 0.55 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 44.19 1hfw s GLY 225 CO 0.17 -0.13 1.01 -2.52 0.00 0.00 0.00 173.10 171.63 1hfw s TYR 226 N 0.30 -0.02 0.22 1.90 1.13 -1.26 -4.49 117.35 115.13 1hfw s TYR 226 Ca -0.05 -0.33 -0.31 0.00 -1.41 0.00 0.00 57.07 54.97 1hfw s TYR 226 Cb -0.15 0.67 -0.11 0.00 -1.10 0.00 0.00 41.96 41.27 1hfw s TYR 226 CO 0.04 -0.87 1.65 -0.65 -2.51 0.00 0.00 175.55 173.21 1hfw s GLN 227 N -2.69 4.15 -1.08 -3.49 -0.21 -1.26 -2.17 119.66 112.90 1hfw s GLN 227 Ca 0.17 2.54 0.00 0.00 0.02 0.00 0.00 55.36 58.09 1hfw s GLN 227 Cb -0.02 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.91 1hfw s GLN 227 CO 0.04 -0.68 0.00 -0.25 -2.12 0.00 0.00 175.29 172.28 1hfw n ASP 228 N 3.46 -4.00 -4.75 5.90 8.00 -1.26 -4.98 116.55 118.93 1hfw n ASP 228 Ca 0.13 0.13 -0.41 0.00 0.71 0.00 0.00 54.79 55.35 1hfw n ASP 228 Cb 0.37 -2.86 -0.02 0.00 -0.02 0.00 0.00 41.12 38.58 1hfw n ASP 228 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1hfw s ASP 229 N -2.69 6.42 0.34 -2.24 -4.77 -0.92 -4.97 116.67 107.85 1hfw s ASP 229 Ca 0.00 2.89 -0.19 0.00 -3.30 0.00 0.00 52.55 51.95 1hfw s ASP 229 Cb 0.00 -2.63 -0.10 0.00 -1.09 0.00 0.00 42.92 39.10 1hfw s ASP 229 CO 0.00 -0.88 0.83 -2.16 0.70 0.00 0.00 175.17 173.67 1hfw s PRO 230 N -0.40 4.20 0.16 2.11 0.04 -1.26 -4.65 135.00 135.19 1hfw s PRO 230 Ca 0.63 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1hfw s PRO 230 Cb -0.47 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.57 1hfw s PRO 230 CO 0.46 0.16 1.37 0.93 0.04 0.00 0.00 177.00 179.96 1hfw h GLU 231 N 2.48 0.28 -0.04 4.56 5.08 -1.93 -3.31 114.58 121.70 1hfw h GLU 231 Ca -0.48 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 57.60 1hfw h GLU 231 Cb 1.18 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1hfw h GLU 231 CO 0.64 0.99 0.19 0.10 -1.00 0.00 0.00 179.01 179.93 1hfw h TYR 232 N 0.16 0.00 -0.13 4.33 -0.00 -1.94 -1.42 116.97 117.97 1hfw h TYR 232 Ca -0.05 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.54 1hfw h TYR 232 Cb 1.49 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 38.21 1hfw h TYR 232 CO 0.04 0.00 -0.53 -0.07 -0.00 0.00 0.00 178.16 177.60 1hfw h LEU 233 N 0.00 0.41 -0.43 0.10 3.38 -2.00 -1.67 115.31 115.09 1hfw h LEU 233 Ca 0.02 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.63 1hfw h LEU 233 Cb 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1hfw h LEU 233 CO -0.00 0.86 -0.34 1.88 0.09 0.00 0.00 178.44 180.93 1hfw h TYR 234 N 0.29 1.13 -0.04 1.13 -1.99 -1.49 -2.46 116.97 113.54 1hfw h TYR 234 Ca 0.01 -0.32 0.02 0.00 2.00 0.00 0.00 58.73 60.44 1hfw h TYR 234 Cb 1.02 -0.25 -0.02 0.00 2.00 0.00 0.00 36.73 39.48 1hfw h TYR 234 CO 0.03 1.15 -0.08 -0.44 -0.00 0.00 0.00 178.16 178.82 1hfw h ASP 235 N 0.79 -0.23 -0.54 3.88 5.19 -1.45 -1.12 116.42 122.93 1hfw h ASP 235 Ca 0.08 0.04 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1hfw h ASP 235 Cb 0.93 0.11 -0.05 0.00 0.18 0.00 0.00 39.33 40.50 1hfw h ASP 235 CO 0.09 -0.11 0.27 0.00 -3.12 0.00 0.00 179.24 176.37 1hfw h ALA 236 N 0.90 0.70 0.35 3.45 0.00 -1.26 0.16 119.26 123.56 1hfw h ALA 236 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1hfw h ALA 236 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1hfw h ALA 236 CO -0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 179.25 178.90 1hfw h ALA 237 N 1.30 -0.47 -0.35 0.00 0.00 -1.16 -1.82 119.26 116.76 1hfw h ALA 237 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1hfw h ALA 237 Cb 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1hfw h ALA 237 CO -0.17 -0.75 0.11 0.82 0.00 0.00 0.00 179.25 179.25 1hfw h ILE 238 N -0.48 0.88 -0.46 0.00 2.04 -0.99 -1.40 117.51 117.11 1hfw h ILE 238 Ca -0.05 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 65.86 1hfw h ILE 238 Cb 0.37 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1hfw h ILE 238 CO 0.08 0.05 0.38 -0.61 0.00 0.00 0.00 178.15 178.05 1hfw h GLN 239 N 0.25 0.00 -0.62 2.37 4.15 -0.45 -1.31 115.11 119.50 1hfw h GLN 239 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1hfw h GLN 239 Cb 0.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1hfw h GLN 239 CO -0.18 0.00 0.00 0.72 -1.93 0.00 0.00 178.83 177.44 1hfw n HIS 240 N -4.09 1.82 -1.86 3.99 8.25 -0.53 -4.97 115.22 117.83 1hfw n HIS 240 Ca 0.08 -0.66 -0.08 0.00 -0.26 0.00 0.00 57.72 56.80 1hfw n HIS 240 Cb 0.58 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.29 1hfw n HIS 240 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1hfw n GLY 241 N 0.87 0.35 3.76 -1.41 0.00 -0.49 -5.02 105.19 103.24 1hfw n GLY 241 Ca 0.27 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 1hfw n GLY 241 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1hfw s VAL 242 N -2.37 2.93 -0.45 1.61 -7.23 -1.18 -4.82 120.40 108.90 1hfw s VAL 242 Ca 0.00 0.57 0.19 0.00 -1.81 0.00 0.00 61.98 60.93 1hfw s VAL 242 Cb 0.00 -3.22 -0.25 0.00 0.56 0.00 0.00 36.38 33.47 1hfw s VAL 242 CO 0.00 -0.13 0.61 0.29 -0.31 0.00 0.00 175.10 175.56 1hfw n LYS 243 N -1.48 0.68 -3.69 4.82 4.76 0.55 -4.89 118.16 118.91 1hfw n LYS 243 Ca 0.12 -0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1hfw n LYS 243 Cb 0.50 -1.43 -0.07 0.00 -1.84 0.00 0.00 35.03 32.20 1hfw n LYS 243 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1hfw s GLY 244 N -3.52 -0.24 -0.07 0.72 0.00 -1.10 -2.24 107.32 100.88 1hfw s GLY 244 Ca -0.00 0.29 -0.00 0.00 0.00 0.00 0.00 44.72 45.00 1hfw s GLY 244 CO 0.79 0.04 -0.03 -0.42 0.00 0.00 0.00 173.10 173.48 1hfw s ILE 245 N -2.27 0.54 -0.23 0.90 1.01 0.42 -2.51 121.20 119.05 1hfw s ILE 245 Ca -0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.45 1hfw s ILE 245 Cb -0.01 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 1hfw s ILE 245 CO -0.01 0.26 0.14 -0.69 0.00 0.00 0.00 174.94 174.65 1hfw s VAL 246 N 1.50 5.25 -0.34 2.92 1.01 0.02 -0.83 120.40 129.92 1hfw s VAL 246 Ca -0.02 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1hfw s VAL 246 Cb -0.13 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1hfw s VAL 246 CO -0.03 0.36 0.20 -0.47 0.00 0.00 0.00 175.10 175.15 1hfw s TYR 247 N 1.00 3.21 -1.23 5.22 5.04 -0.09 -1.14 117.35 129.37 1hfw s TYR 247 Ca 0.07 -0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 53.92 1hfw s TYR 247 Cb -0.13 -2.42 0.15 0.00 0.35 0.00 0.00 41.96 39.90 1hfw s TYR 247 CO 0.04 -0.51 1.50 0.00 -1.34 0.00 0.00 175.55 175.24 1hfw s ALA 248 N 1.62 3.86 0.96 3.97 0.00 -0.11 -0.25 121.76 131.82 1hfw s ALA 248 Ca 0.04 -3.27 -0.16 0.00 0.00 0.00 0.00 51.96 48.57 1hfw s ALA 248 Cb -0.18 -4.24 0.19 0.00 0.00 0.00 0.00 23.12 18.89 1hfw s ALA 248 CO 0.07 -2.89 1.28 0.20 0.00 0.00 0.00 175.76 174.43 1hfw s GLY 249 N 3.13 1.73 0.14 0.00 0.00 -1.03 -1.40 107.32 109.89 1hfw s GLY 249 Ca 0.45 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.79 1hfw s GLY 249 CO 0.02 -0.35 0.97 1.06 0.00 0.00 0.00 173.10 174.80 1hfw s MET 250 N -5.79 4.72 5.64 2.90 -1.94 -1.25 -0.15 119.30 123.43 1hfw s MET 250 Ca 0.72 1.49 0.00 0.00 -1.71 0.00 0.00 55.69 56.19 1hfw s MET 250 Cb -0.06 -3.35 0.00 0.00 2.01 0.00 0.00 34.83 33.43 1hfw s MET 250 CO 0.53 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 176.20 1hfw n GLY 251 N 2.09 3.20 2.40 -0.03 0.00 -1.26 -0.85 105.19 110.75 1hfw n GLY 251 Ca 0.02 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1hfw n GLY 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfw n ALA 252 N 10.21 6.90 -2.17 4.61 0.00 -1.26 -4.59 120.51 134.21 1hfw n ALA 252 Ca 0.00 -3.60 -0.11 0.00 0.00 0.00 0.00 53.44 49.72 1hfw n ALA 252 Cb 0.00 -2.77 -0.01 0.00 0.00 0.00 0.00 19.45 16.67 1hfw n ALA 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1hfw n GLY 253 N 2.07 -0.03 3.75 0.00 0.00 -1.07 -4.77 105.19 105.14 1hfw n GLY 253 Ca 0.63 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 1hfw n GLY 253 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hfw s SER 254 N -2.51 5.21 -0.03 1.61 0.01 -0.03 -4.85 113.70 113.12 1hfw s SER 254 Ca 0.00 2.45 0.02 0.00 1.31 0.00 0.00 55.95 59.74 1hfw s SER 254 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.63 1hfw s SER 254 CO 0.00 -1.59 -0.09 -0.69 0.41 0.00 0.00 173.24 171.28 1hfw s VAL 255 N -1.53 0.83 0.86 3.43 1.01 -1.26 -3.79 120.40 119.95 1hfw s VAL 255 Ca 0.76 -0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.24 1hfw s VAL 255 Cb -0.32 -0.75 0.11 0.00 0.00 0.00 0.00 36.38 35.42 1hfw s VAL 255 CO 0.35 0.26 1.18 -0.94 0.00 0.00 0.00 175.10 175.95 1hfw s SER 256 N 0.27 4.02 0.36 3.32 1.04 -1.26 -4.80 113.70 116.66 1hfw s SER 256 Ca -0.05 0.79 0.05 0.00 0.48 0.00 0.00 55.95 57.23 1hfw s SER 256 Cb -0.10 -1.27 0.69 0.00 0.10 0.00 0.00 66.02 65.44 1hfw s SER 256 CO 0.01 -2.21 1.95 -0.37 0.98 0.00 0.00 173.24 173.59 1hfw h VAL 257 N -1.27 1.16 -0.33 5.02 -1.51 -1.99 0.56 116.25 117.90 1hfw h VAL 257 Ca -0.47 -0.55 -0.17 0.00 -1.23 0.00 0.00 66.70 64.28 1hfw h VAL 257 Cb 1.32 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1hfw h VAL 257 CO 0.62 0.20 -0.44 0.03 -1.23 0.00 0.00 177.57 176.75 1hfw h ARG 258 N 0.54 0.88 -0.47 5.19 3.08 -1.92 -2.30 114.38 119.38 1hfw h ARG 258 Ca 0.13 -0.51 -0.08 0.00 0.07 0.00 0.00 59.98 59.59 1hfw h ARG 258 Cb 0.17 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 1hfw h ARG 258 CO -0.01 1.15 -0.05 0.78 -1.07 0.00 0.00 179.97 180.77 1hfw h GLY 259 N 0.67 0.87 1.17 0.04 0.00 -1.66 -2.31 103.07 101.85 1hfw h GLY 259 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1hfw h GLY 259 CO 0.10 0.57 0.07 -2.22 0.00 0.00 0.00 176.54 175.07 1hfw h ILE 260 N 0.74 1.26 -0.31 2.60 2.04 -0.80 -1.32 117.51 121.71 1hfw h ILE 260 Ca 0.14 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.95 1hfw h ILE 260 Cb 0.52 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1hfw h ILE 260 CO 0.03 0.38 0.12 0.00 0.00 0.00 0.00 178.15 178.68 1hfw h ALA 261 N 1.12 0.40 -0.90 1.87 0.00 -1.18 -1.47 119.26 119.10 1hfw h ALA 261 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1hfw h ALA 261 Cb 0.45 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1hfw h ALA 261 CO 0.02 0.01 0.54 0.78 0.00 0.00 0.00 179.25 180.59 1hfw h GLY 262 N 0.35 1.31 1.05 0.00 0.00 -1.19 -2.72 103.07 101.87 1hfw h GLY 262 Ca 0.10 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.77 1hfw h GLY 262 CO -0.01 0.53 -0.19 -0.33 0.00 0.00 0.00 176.54 176.54 1hfw h MET 263 N 1.24 0.89 -0.38 4.80 2.07 -0.98 -2.73 114.93 119.83 1hfw h MET 263 Ca 0.32 -0.38 -0.03 0.00 -2.07 0.00 0.00 59.70 57.54 1hfw h MET 263 Cb -0.05 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 1hfw h MET 263 CO -0.06 1.03 0.10 0.00 1.07 0.00 0.00 176.91 179.05 1hfw h ARG 264 N 0.72 0.56 -0.39 1.72 2.47 -1.10 -0.91 114.38 117.45 1hfw h ARG 264 Ca 0.10 -0.09 -0.13 0.00 -1.26 0.00 0.00 59.98 58.60 1hfw h ARG 264 Cb 0.75 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.96 1hfw h ARG 264 CO 0.06 0.51 -0.27 0.87 0.56 0.00 0.00 179.97 181.70 1hfw h LYS 265 N 0.55 0.82 -0.35 0.04 1.57 -1.38 -2.09 116.57 115.74 1hfw h LYS 265 Ca 0.13 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1hfw h LYS 265 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1hfw h LYS 265 CO -0.01 0.99 -0.13 0.00 -0.57 0.00 0.00 179.45 179.74 1hfw h ALA 266 N 0.99 0.48 -0.66 3.86 0.00 -1.09 -2.52 119.26 120.32 1hfw h ALA 266 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1hfw h ALA 266 Cb 0.81 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1hfw h ALA 266 CO 0.07 0.37 0.29 -0.07 0.00 0.00 0.00 179.25 179.91 1hfw h LEU 267 N 0.48 0.86 -0.55 0.00 3.38 -1.10 0.63 115.31 119.01 1hfw h LEU 267 Ca 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1hfw h LEU 267 Cb 0.66 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1hfw h LEU 267 CO 0.04 0.75 0.26 -0.33 0.09 0.00 0.00 178.44 179.24 1hfw h GLU 268 N 0.94 0.80 0.00 1.13 5.08 -1.24 -1.03 114.58 120.26 1hfw h GLU 268 Ca 0.23 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1hfw h GLU 268 Cb 0.14 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1hfw h GLU 268 CO -0.03 0.67 0.00 1.63 -1.00 0.00 0.00 179.01 180.28 1hfw n LYS 269 N -4.55 0.25 -0.60 2.33 4.76 -0.91 -4.86 118.16 114.59 1hfw n LYS 269 Ca 0.03 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 1hfw n LYS 269 Cb 0.13 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1hfw n LYS 269 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1hfw n GLY 270 N 0.07 0.66 3.79 0.72 0.00 -0.39 -5.06 105.19 104.97 1hfw n GLY 270 Ca 0.08 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 1hfw n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1hfw s VAL 271 N -2.00 4.44 -0.10 1.61 1.01 0.15 -4.98 120.40 120.53 1hfw s VAL 271 Ca 0.00 1.57 -0.25 0.00 0.00 0.00 0.00 61.98 63.30 1hfw s VAL 271 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1hfw s VAL 271 CO 0.00 0.46 0.80 -0.69 0.00 0.00 0.00 175.10 175.68 1hfw s VAL 272 N -1.22 4.95 -0.21 2.92 1.01 -0.95 -4.08 120.40 122.82 1hfw s VAL 272 Ca 0.36 1.63 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 1hfw s VAL 272 Cb -0.21 -4.13 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1hfw s VAL 272 CO 0.24 0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.77 1hfw s VAL 273 N 1.39 3.56 -0.22 2.92 1.01 -1.26 -0.44 120.40 127.36 1hfw s VAL 273 Ca 0.40 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1hfw s VAL 273 Cb -0.18 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1hfw s VAL 273 CO 0.18 0.42 -0.07 -0.32 0.00 0.00 0.00 175.10 175.31 1hfw s MET 274 N 1.33 3.22 -0.28 2.72 1.75 -0.01 -0.72 119.30 127.31 1hfw s MET 274 Ca 0.04 -0.72 -0.20 0.00 -1.25 0.00 0.00 55.69 53.56 1hfw s MET 274 Cb -0.14 -2.93 -0.01 0.00 2.84 0.00 0.00 34.83 34.58 1hfw s MET 274 CO -0.01 -0.23 0.63 1.03 -0.65 0.00 0.00 175.02 175.79 1hfw s ARG 275 N 1.42 4.01 0.00 4.11 0.52 0.48 -0.91 118.95 128.58 1hfw s ARG 275 Ca 0.05 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.69 1hfw s ARG 275 Cb -0.14 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.64 1hfw s ARG 275 CO -0.05 -0.49 0.00 0.45 0.02 0.00 0.00 175.30 175.23 1hfw n SER 276 N 5.80 1.83 -4.01 0.23 2.88 0.66 -1.40 113.62 119.61 1hfw n SER 276 Ca -0.01 -0.08 -0.14 0.00 -1.33 0.00 0.00 58.87 57.31 1hfw n SER 276 Cb 0.49 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.82 1hfw n SER 276 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1hfw s THR 277 N 0.94 0.47 -1.38 2.46 -1.32 -1.26 -2.46 115.64 113.09 1hfw s THR 277 Ca 0.00 -0.68 0.26 0.00 -1.21 0.00 0.00 61.69 60.06 1hfw s THR 277 Cb 0.00 -0.48 0.18 0.00 -1.51 0.00 0.00 72.50 70.68 1hfw s THR 277 CO 0.00 -0.15 1.55 -2.11 -2.21 0.00 0.00 174.62 171.70 1hfw n ARG 278 N 2.15 0.41 -0.30 7.08 1.85 0.79 -4.32 116.66 124.33 1hfw n ARG 278 Ca -0.18 -0.22 -0.05 0.00 -1.00 0.00 0.00 57.85 56.40 1hfw n ARG 278 Cb 0.56 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.55 1hfw n ARG 278 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1hfw h THR 279 N 0.55 1.24 0.00 8.89 1.35 -1.85 -3.48 112.91 119.61 1hfw h THR 279 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1hfw h THR 279 Cb 0.49 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1hfw h THR 279 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 1hfw n GLY 280 N -1.14 1.39 3.36 5.82 0.00 -1.26 -5.09 105.19 108.26 1hfw n GLY 280 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1hfw n GLY 280 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1hfw s ASN 281 N -1.53 -0.06 0.00 1.61 0.01 -1.26 -4.97 114.94 108.75 1hfw s ASN 281 Ca 0.00 -0.66 0.00 0.00 -0.71 0.00 0.00 52.86 51.49 1hfw s ASN 281 Cb 0.00 0.46 0.00 0.00 0.41 0.00 0.00 41.25 42.12 1hfw s ASN 281 CO 0.00 -0.90 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 1hfw n GLY 282 N -0.22 0.99 3.81 0.66 0.00 -1.26 -5.01 105.19 104.16 1hfw n GLY 282 Ca -0.10 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.54 1hfw n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1hfw s ILE 283 N -1.74 5.36 -0.40 -0.61 1.09 -1.26 -4.24 121.20 119.40 1hfw s ILE 283 Ca 0.00 0.39 -0.13 0.00 -1.10 0.00 0.00 60.65 59.81 1hfw s ILE 283 Cb 0.00 -3.52 0.03 0.00 -1.06 0.00 0.00 42.46 37.92 1hfw s ILE 283 CO 0.00 0.53 0.27 -0.69 -0.10 0.00 0.00 174.94 174.95 1hfw s VAL 284 N -0.47 4.90 0.59 2.92 1.01 -0.78 -4.93 120.40 123.63 1hfw s VAL 284 Ca 0.15 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 1hfw s VAL 284 Cb -0.13 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1hfw s VAL 284 CO 0.04 -0.33 1.01 -2.16 0.00 0.00 0.00 175.10 173.66 1hfw s PRO 285 N 1.60 3.69 0.72 2.72 0.04 -1.26 -3.67 135.00 138.85 1hfw s PRO 285 Ca 0.03 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 1hfw s PRO 285 Cb -0.20 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.27 1hfw s PRO 285 CO 0.08 -0.48 1.21 -2.14 0.04 0.00 0.00 177.00 175.71 1hfw s PRO 286 N -4.86 2.21 -0.29 0.56 0.02 -1.26 -4.95 135.00 126.42 1hfw s PRO 286 Ca 0.56 1.76 0.03 0.00 0.02 0.00 0.00 61.00 63.37 1hfw s PRO 286 Cb -0.11 -1.84 0.20 0.00 0.02 0.00 0.00 34.50 32.77 1hfw s PRO 286 CO 0.47 -1.79 0.64 0.34 -0.33 0.00 0.00 177.00 176.34 1hfw s ASP 287 N -2.01 -1.46 0.61 2.53 -1.08 -1.26 -5.03 116.67 108.97 1hfw s ASP 287 Ca 0.75 0.32 0.33 0.00 -0.52 0.00 0.00 52.55 53.42 1hfw s ASP 287 Cb -0.29 1.99 1.88 0.00 -1.46 0.00 0.00 42.92 45.04 1hfw s ASP 287 CO 0.44 -0.27 2.20 1.05 0.52 0.00 0.00 175.17 179.11 1hfw h GLU 288 N 7.94 0.00 0.00 4.34 9.09 -1.98 -1.83 114.58 132.15 1hfw h GLU 288 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1hfw h GLU 288 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.28 1hfw h GLU 288 CO 0.15 0.00 0.00 0.93 0.05 0.00 0.00 179.01 180.14 1hfw h GLU 289 N 0.00 0.00 -6.31 1.06 3.07 -2.01 -3.45 114.58 106.94 1hfw h GLU 289 Ca 0.03 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.26 1hfw h GLU 289 Cb 0.23 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.04 1hfw h GLU 289 CO -0.00 0.00 -0.64 -0.51 -1.40 0.00 0.00 179.01 176.46 1hfw s LEU 290 N -6.03 3.52 0.58 1.33 1.43 -0.69 -5.12 118.68 113.70 1hfw s LEU 290 Ca 0.04 -0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1hfw s LEU 290 Cb 0.08 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1hfw s LEU 290 CO 0.58 0.15 1.02 -2.16 0.23 0.00 0.00 176.35 176.17 1hfw s PRO 291 N -2.50 3.64 0.20 1.29 0.04 -1.26 -4.89 135.00 131.52 1hfw s PRO 291 Ca 0.27 0.89 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1hfw s PRO 291 Cb -0.11 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1hfw s PRO 291 CO 0.19 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1hfw n GLY 292 N -2.06 -2.69 3.99 0.56 0.00 -1.26 -4.88 105.19 98.85 1hfw n GLY 292 Ca 0.07 -1.71 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 1hfw n GLY 292 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1hfw s LEU 293 N 0.00 3.22 0.07 0.99 1.43 0.10 -4.93 118.68 119.56 1hfw s LEU 293 Ca 0.00 -0.78 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1hfw s LEU 293 Cb 0.00 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1hfw s LEU 293 CO 0.00 -1.07 -0.25 0.68 0.23 0.00 0.00 176.35 175.93 1hfw s VAL 294 N -2.58 2.27 -2.11 -1.59 -7.23 -1.26 -0.39 120.40 107.51 1hfw s VAL 294 Ca 0.54 -1.47 0.17 0.00 -1.81 0.00 0.00 61.98 59.41 1hfw s VAL 294 Cb -0.06 -1.93 0.43 0.00 0.56 0.00 0.00 36.38 35.38 1hfw s VAL 294 CO 0.33 0.28 1.53 -1.54 -0.31 0.00 0.00 175.10 175.40 1hfw n SER 295 N 1.49 0.84 0.00 4.85 3.41 -0.49 -4.86 113.62 118.86 1hfw n SER 295 Ca -0.17 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1hfw n SER 295 Cb 0.52 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 1hfw n SER 295 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1hfw n ASP 296 N -0.19 0.00 -1.46 4.04 -0.08 -1.24 -1.61 116.55 116.01 1hfw n ASP 296 Ca 0.13 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.51 1hfw n ASP 296 Cb 0.19 0.00 0.33 0.00 2.34 0.00 0.00 41.12 43.98 1hfw n ASP 296 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1hfw n SER 297 N 3.62 4.28 -4.73 1.67 3.41 -1.26 -1.87 113.62 118.74 1hfw n SER 297 Ca 0.00 -2.27 -0.41 0.00 -0.26 0.00 0.00 58.87 55.93 1hfw n SER 297 Cb 0.00 -0.53 -0.05 0.00 -0.26 0.00 0.00 64.21 63.37 1hfw n SER 297 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1hfw s LEU 298 N -1.49 4.51 0.84 1.04 1.02 -0.64 -4.76 118.68 119.21 1hfw s LEU 298 Ca 0.48 1.77 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 1hfw s LEU 298 Cb 0.29 -3.54 0.11 0.00 0.02 0.00 0.00 46.19 43.07 1hfw s LEU 298 CO 0.27 -0.02 1.20 0.54 0.02 0.00 0.00 176.35 178.35 1hfw s ASN 299 N -0.17 4.13 0.21 2.29 2.20 -1.26 -4.70 114.94 117.64 1hfw s ASN 299 Ca 0.45 0.57 -0.12 0.00 -0.94 0.00 0.00 52.86 52.82 1hfw s ASN 299 Cb -0.23 -0.94 0.27 0.00 -2.00 0.00 0.00 41.25 38.34 1hfw s ASN 299 CO 0.29 -2.12 1.65 -0.65 -2.94 0.00 0.00 177.10 173.34 1hfw h PRO 300 N -1.17 0.08 -0.53 3.55 0.11 -1.95 0.74 132.00 132.83 1hfw h PRO 300 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1hfw h PRO 300 Cb 1.30 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 1hfw h PRO 300 CO 0.57 0.05 0.33 0.00 -0.21 0.00 0.00 178.00 178.74 1hfw h ALA 301 N 1.57 0.67 -0.33 -0.75 0.00 -1.97 -1.59 119.26 116.86 1hfw h ALA 301 Ca 0.31 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1hfw h ALA 301 Cb 0.50 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hfw h ALA 301 CO -0.55 0.13 -0.45 0.45 0.00 0.00 0.00 179.25 178.83 1hfw h HIS 302 N 0.71 1.05 -0.88 0.00 3.86 -1.81 -3.17 115.15 114.92 1hfw h HIS 302 Ca 0.19 -0.34 0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1hfw h HIS 302 Cb -0.05 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.16 1hfw h HIS 302 CO -0.03 1.15 0.57 0.00 0.86 0.00 0.00 177.93 180.48 1hfw h ALA 303 N 0.79 1.15 -0.43 2.45 0.00 -0.60 -2.29 119.26 120.34 1hfw h ALA 303 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hfw h ALA 303 Cb 1.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1hfw h ALA 303 CO 0.10 0.41 0.25 -0.09 0.00 0.00 0.00 179.25 179.92 1hfw h ARG 304 N 1.10 0.59 -0.30 0.00 2.43 -1.29 -1.02 114.38 115.90 1hfw h ARG 304 Ca 0.35 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.48 1hfw h ARG 304 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1hfw h ARG 304 CO -0.12 0.45 0.16 0.82 -1.51 0.00 0.00 179.97 179.77 1hfw h ILE 305 N 0.56 1.00 -0.65 1.20 1.08 -1.44 -1.62 117.51 117.65 1hfw h ILE 305 Ca 0.15 -0.11 -0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1hfw h ILE 305 Cb 0.02 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 1hfw h ILE 305 CO -0.03 0.06 0.07 0.25 -0.69 0.00 0.00 178.15 177.81 1hfw h LEU 306 N 0.32 1.06 -0.72 1.44 5.85 -1.26 -2.65 115.31 119.35 1hfw h LEU 306 Ca 0.12 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1hfw h LEU 306 Cb 0.03 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1hfw h LEU 306 CO -0.07 1.07 0.27 0.25 -0.34 0.00 0.00 178.44 179.61 1hfw h LEU 307 N 1.02 1.01 0.16 2.25 5.85 -0.92 -0.43 115.31 124.25 1hfw h LEU 307 Ca 0.19 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1hfw h LEU 307 Cb 0.48 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1hfw h LEU 307 CO 0.02 0.92 -0.08 0.24 -0.34 0.00 0.00 178.44 179.20 1hfw h MET 308 N 1.04 -0.21 -0.47 1.25 2.86 -1.19 -1.20 114.93 117.01 1hfw h MET 308 Ca 0.24 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1hfw h MET 308 Cb 0.24 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1hfw h MET 308 CO -0.02 -0.10 0.30 -0.07 1.06 0.00 0.00 176.91 178.08 1hfw h LEU 309 N -0.27 0.55 -0.74 1.22 3.38 -1.32 -1.82 115.31 116.32 1hfw h LEU 309 Ca -0.02 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1hfw h LEU 309 Cb 0.21 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1hfw h LEU 309 CO 0.04 0.41 -0.30 0.00 0.09 0.00 0.00 178.44 178.67 1hfw h ALA 310 N 1.69 0.91 0.00 1.53 0.00 -0.76 -2.70 119.26 119.93 1hfw h ALA 310 Ca 0.17 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1hfw h ALA 310 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1hfw h ALA 310 CO -0.03 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.12 1hfw n LEU 311 N -4.08 0.00 0.10 0.00 4.77 -0.48 -1.62 117.00 115.69 1hfw n LEU 311 Ca -0.01 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1hfw n LEU 311 Cb 0.46 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.27 1hfw n LEU 311 CO 0.44 -0.31 0.51 0.71 -1.33 0.00 0.00 177.39 177.41 1hfw h THR 312 N 0.00 0.00 0.00 -5.08 1.35 -1.40 -3.38 112.91 104.40 1hfw h THR 312 Ca 0.00 -0.65 -0.09 0.00 -0.55 0.00 0.00 66.41 65.12 1hfw h THR 312 Cb 0.17 1.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1hfw h THR 312 CO 0.00 0.00 -1.35 0.54 -0.25 0.00 0.00 175.52 174.46 1hfw n ARG 313 N -2.40 3.05 -3.92 4.72 1.74 -0.69 -5.11 116.66 114.05 1hfw n ARG 313 Ca 0.03 -0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1hfw n ARG 313 Cb 0.47 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.74 1hfw n ARG 313 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1hfw s THR 314 N -2.13 0.00 0.00 0.55 -1.32 -0.64 -5.02 115.64 107.08 1hfw s THR 314 Ca -0.03 -1.18 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 1hfw s THR 314 Cb 0.02 -2.08 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 1hfw s THR 314 CO 0.21 -0.00 0.59 -1.54 -2.21 0.00 0.00 174.62 171.67 1hfw n SER 315 N -0.42 0.54 -4.57 8.08 3.41 -1.26 -4.19 113.62 115.20 1hfw n SER 315 Ca -0.03 -1.26 -0.43 0.00 -0.26 0.00 0.00 58.87 56.89 1hfw n SER 315 Cb 0.60 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1hfw n SER 315 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1hfw s ASP 316 N -0.26 6.53 0.55 4.04 -1.08 -1.26 -4.92 116.67 120.27 1hfw s ASP 316 Ca 0.00 0.19 0.30 0.00 -0.52 0.00 0.00 52.55 52.52 1hfw s ASP 316 Cb 0.00 -2.47 1.46 0.00 -1.46 0.00 0.00 42.92 40.45 1hfw s ASP 316 CO 0.00 -1.10 1.90 1.55 0.52 0.00 0.00 175.17 178.04 1hfw h PRO 317 N 9.12 0.00 -0.37 4.34 0.13 -1.99 -0.87 132.00 142.36 1hfw h PRO 317 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.76 1hfw h PRO 317 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1hfw h PRO 317 CO 1.05 0.00 -0.30 0.87 -0.23 0.00 0.00 178.00 179.39 1hfw h LYS 318 N 0.00 0.86 -0.06 0.86 1.57 -2.00 -1.88 116.57 115.92 1hfw h LYS 318 Ca 0.33 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1hfw h LYS 318 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 1hfw h LYS 318 CO -0.00 1.07 -0.05 0.28 -0.57 0.00 0.00 179.45 180.18 1hfw h VAL 319 N 0.66 1.36 -0.77 0.50 2.07 -1.59 -2.97 116.25 115.51 1hfw h VAL 319 Ca 0.07 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.52 1hfw h VAL 319 Cb 0.88 2.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 1hfw h VAL 319 CO 0.08 0.32 0.42 0.40 0.02 0.00 0.00 177.57 178.80 1hfw h ILE 320 N -0.28 0.89 -0.69 4.57 2.04 -1.43 -1.42 117.51 121.18 1hfw h ILE 320 Ca 0.01 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1hfw h ILE 320 Cb 0.54 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1hfw h ILE 320 CO 0.01 0.13 0.38 -0.61 0.00 0.00 0.00 178.15 178.06 1hfw h GLN 321 N 0.71 0.95 -0.25 2.37 5.75 -1.34 -1.99 115.11 121.32 1hfw h GLN 321 Ca 0.37 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.66 1hfw h GLN 321 Cb 0.36 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 1hfw h GLN 321 CO -0.25 0.70 -0.32 1.49 -2.65 0.00 0.00 178.83 177.80 1hfw h GLU 322 N 0.96 0.51 -0.94 1.69 4.57 -1.11 -2.62 114.58 117.65 1hfw h GLU 322 Ca 0.25 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1hfw h GLU 322 Cb 0.02 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.55 1hfw h GLU 322 CO -0.04 0.77 0.59 1.88 -1.18 0.00 0.00 179.01 181.03 1hfw h TYR 323 N 0.44 1.21 0.00 0.92 0.05 -0.68 -2.04 116.97 116.87 1hfw h TYR 323 Ca 0.05 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1hfw h TYR 323 Cb 0.77 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 38.11 1hfw h TYR 323 CO 0.03 0.79 0.00 0.74 -1.05 0.00 0.00 178.16 178.67 1hfw h PHE 324 N 1.28 0.00 -0.01 4.88 -1.00 -1.09 -1.24 116.94 119.77 1hfw h PHE 324 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1hfw h PHE 324 Cb -0.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1hfw h PHE 324 CO 0.00 0.00 -0.63 0.72 -1.61 0.00 0.00 178.31 176.80 1hfw n HIS 325 N -2.47 0.00 0.00 -0.55 8.25 -0.79 -4.53 115.22 115.13 1hfw n HIS 325 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1hfw n HIS 325 Cb 0.24 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.33 1hfw n HIS 325 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1hfw n THR 326 N -0.64 0.00 0.60 1.59 -2.24 -1.00 -5.07 114.28 107.51 1hfw n THR 326 Ca 0.08 -0.14 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1hfw n THR 326 Cb 0.40 0.62 0.06 0.00 -2.10 0.00 0.00 70.33 69.32 1hfw n THR 326 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28