#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hfa h SER 20 N 0.00 0.73 -0.13 1.61 0.87 -2.04 0.61 113.55 115.20 1hfa h SER 20 Ca 0.00 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.53 1hfa h SER 20 Cb 0.00 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1hfa h SER 20 CO 0.00 0.44 -0.09 0.00 -0.53 0.00 0.00 176.83 176.65 1hfa h ALA 21 N 1.43 1.33 -0.20 6.23 0.00 -2.06 -0.14 119.26 125.85 1hfa h ALA 21 Ca 0.38 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1hfa h ALA 21 Cb 0.28 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1hfa h ALA 21 CO -0.21 0.45 -0.09 0.28 0.00 0.00 0.00 179.25 179.68 1hfa h VAL 22 N 0.42 1.30 -0.14 0.00 2.07 -1.92 -2.81 116.25 115.17 1hfa h VAL 22 Ca 0.08 -1.14 -0.18 0.00 0.82 0.00 0.00 66.70 66.29 1hfa h VAL 22 Cb 0.42 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1hfa h VAL 22 CO 0.02 0.35 -0.65 -1.28 0.02 0.00 0.00 177.57 176.03 1hfa h SER 23 N 0.12 0.61 -0.40 0.57 0.87 0.53 -2.07 113.55 113.79 1hfa h SER 23 Ca 0.05 -0.36 -0.08 0.00 -1.23 0.00 0.00 61.79 60.16 1hfa h SER 23 Cb 0.57 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1hfa h SER 23 CO 0.03 1.10 -0.04 0.11 -0.53 0.00 0.00 176.83 177.50 1hfa h LYS 24 N 0.38 0.81 -0.16 2.24 1.57 -1.08 -2.51 116.57 117.82 1hfa h LYS 24 Ca -0.02 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1hfa h LYS 24 Cb 1.22 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1hfa h LYS 24 CO 0.12 0.84 -0.40 1.15 -0.57 0.00 0.00 179.45 180.59 1hfa h THR 25 N 0.75 1.30 -0.50 -0.16 2.02 -1.21 -1.02 112.91 114.09 1hfa h THR 25 Ca 0.14 -1.52 -0.03 0.00 0.77 0.00 0.00 66.41 65.77 1hfa h THR 25 Cb 0.51 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1hfa h THR 25 CO 0.03 0.46 0.19 0.58 0.37 0.00 0.00 175.52 177.15 1hfa h VAL 26 N 0.31 1.22 -0.71 3.16 2.07 -1.21 0.21 116.25 121.29 1hfa h VAL 26 Ca 0.03 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1hfa h VAL 26 Cb 0.83 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1hfa h VAL 26 CO 0.07 0.26 0.23 0.00 0.02 0.00 0.00 177.57 178.15 1hfa h LYS 28 N 1.04 0.00 0.00 0.00 1.57 -0.23 -2.49 116.57 116.47 1hfa h LYS 28 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1hfa h LYS 28 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1hfa h LYS 28 CO -0.01 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 1hfa h ALA 29 N 1.64 1.00 -0.35 3.86 0.00 -0.48 -3.34 119.26 121.60 1hfa h ALA 29 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 1hfa h ALA 29 Cb 0.66 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.26 1hfa h ALA 29 CO 0.05 0.00 -0.61 0.25 0.00 0.00 0.00 179.25 178.94 1hfa n THR 30 N -2.50 2.38 -1.12 0.00 -2.24 -0.95 -4.32 114.28 105.53 1hfa n THR 30 Ca 0.05 -3.65 -0.29 0.00 -2.27 0.00 0.00 64.05 57.88 1hfa n THR 30 Cb 0.42 -0.65 0.20 0.00 -2.10 0.00 0.00 70.33 68.21 1hfa n THR 30 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1hfa s THR 31 N -3.85 1.88 -1.79 4.28 -4.23 -1.14 -4.66 115.64 106.13 1hfa s THR 31 Ca 0.44 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 61.11 1hfa s THR 31 Cb 0.39 -2.48 0.40 0.00 1.34 0.00 0.00 72.50 72.15 1hfa s THR 31 CO -0.02 0.00 1.41 1.41 -0.54 0.00 0.00 174.62 176.88 1hfa n HIS 32 N -4.40 0.00 -2.49 3.99 8.25 -1.26 -4.47 115.22 114.83 1hfa n HIS 32 Ca 0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.15 1hfa n HIS 32 Cb 0.58 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 1hfa n HIS 32 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1hfa s GLU 33 N -2.21 4.27 -1.28 -0.41 2.12 -1.26 -4.92 118.70 115.01 1hfa s GLU 33 Ca 0.21 1.63 -0.13 0.00 0.36 0.00 0.00 54.97 57.05 1hfa s GLU 33 Cb 0.11 -2.73 0.14 0.00 0.26 0.00 0.00 34.13 31.91 1hfa s GLU 33 CO 0.21 -0.07 1.76 -0.89 -0.54 0.00 0.00 175.26 175.72 1hfa n ILE 34 N 0.28 4.14 -3.44 -3.70 5.41 -1.26 -4.79 119.36 116.00 1hfa n ILE 34 Ca 0.03 -4.28 -0.12 0.00 1.00 0.00 0.00 62.75 59.38 1hfa n ILE 34 Cb 0.48 -2.43 -0.02 0.00 -0.71 0.00 0.00 39.64 36.96 1hfa n ILE 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1hfa s MET 35 N 1.67 1.26 1.10 0.38 0.23 -1.26 -4.50 119.30 118.18 1hfa s MET 35 Ca 0.44 -0.46 -0.13 0.00 -1.03 0.00 0.00 55.69 54.51 1hfa s MET 35 Cb 0.05 0.58 0.25 0.00 -1.53 0.00 0.00 34.83 34.18 1hfa s MET 35 CO 0.00 -0.54 1.05 0.20 -2.03 0.00 0.00 175.02 173.70 1hfa s GLY 36 N -2.70 1.56 0.41 3.16 0.00 -1.23 -4.70 107.32 103.82 1hfa s GLY 36 Ca 0.01 -0.17 -0.26 0.00 0.00 0.00 0.00 44.72 44.30 1hfa s GLY 36 CO -0.12 0.50 1.30 -1.05 0.00 0.00 0.00 173.10 173.73 1hfa n PRO 37 N -4.64 2.03 -2.36 2.90 -0.02 -1.26 -4.93 135.00 126.72 1hfa n PRO 37 Ca 0.04 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 1hfa n PRO 37 Cb 0.55 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1hfa n PRO 37 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1hfa s LYS 38 N -2.19 4.18 0.25 -0.52 1.02 -1.26 -4.91 119.74 116.32 1hfa s LYS 38 Ca 0.60 1.79 -0.03 0.00 0.02 0.00 0.00 55.97 58.35 1hfa s LYS 38 Cb -0.51 -2.76 0.47 0.00 -0.52 0.00 0.00 37.83 34.52 1hfa s LYS 38 CO 0.59 -0.19 1.74 -0.22 -0.92 0.00 0.00 175.35 176.35 1hfa h LYS 39 N 2.84 0.50 -0.93 1.68 3.64 -1.99 -1.67 116.57 120.64 1hfa h LYS 39 Ca -0.48 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.88 1hfa h LYS 39 Cb 1.23 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1hfa h LYS 39 CO 0.63 0.33 0.62 1.57 -2.27 0.00 0.00 179.45 180.33 1hfa h LYS 40 N 0.51 1.23 -0.11 1.90 2.10 -2.00 0.16 116.57 120.36 1hfa h LYS 40 Ca 0.43 -0.07 -0.06 0.00 -2.00 0.00 0.00 60.65 58.94 1hfa h LYS 40 Cb 0.62 -0.28 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1hfa h LYS 40 CO -0.38 0.81 -0.19 0.45 -2.00 0.00 0.00 179.45 178.15 1hfa h HIS 41 N 1.27 0.39 -0.76 0.07 3.86 -1.83 -2.96 115.15 115.19 1hfa h HIS 41 Ca 0.34 -0.14 0.11 0.00 -1.16 0.00 0.00 60.37 59.53 1hfa h HIS 41 Cb -0.15 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 28.17 1hfa h HIS 41 CO -0.01 0.79 0.38 -0.07 0.86 0.00 0.00 177.93 179.88 1hfa h LEU 42 N -0.12 0.47 -0.77 2.43 3.38 -1.00 -2.09 115.31 117.61 1hfa h LEU 42 Ca 0.01 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1hfa h LEU 42 Cb 0.76 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1hfa h LEU 42 CO 0.04 0.24 0.07 0.44 0.09 0.00 0.00 178.44 179.33 1hfa h ASP 43 N 0.60 0.96 -0.35 -0.43 3.32 -0.68 -1.03 116.42 118.81 1hfa h ASP 43 Ca 0.39 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1hfa h ASP 43 Cb 0.47 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1hfa h ASP 43 CO -0.31 0.98 0.20 0.22 -1.72 0.00 0.00 179.24 178.61 1hfa h TYR 44 N 0.94 0.48 -0.62 4.55 5.03 -1.34 -0.95 116.97 125.05 1hfa h TYR 44 Ca 0.18 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 1hfa h TYR 44 Cb 0.44 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 38.54 1hfa h TYR 44 CO 0.03 0.36 0.21 -0.07 -1.32 0.00 0.00 178.16 177.37 1hfa h LEU 45 N 0.45 0.86 -0.64 2.82 3.38 -1.09 -0.81 115.31 120.28 1hfa h LEU 45 Ca 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1hfa h LEU 45 Cb 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1hfa h LEU 45 CO -0.02 0.80 0.22 0.40 0.09 0.00 0.00 178.44 179.92 1hfa h ILE 46 N 0.91 1.25 -0.74 1.22 2.04 -0.52 -1.86 117.51 119.81 1hfa h ILE 46 Ca 0.21 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1hfa h ILE 46 Cb 0.24 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1hfa h ILE 46 CO -0.01 0.32 0.39 -0.61 0.00 0.00 0.00 178.15 178.24 1hfa h GLN 47 N 0.92 1.05 -0.85 2.37 5.75 -0.73 -1.70 115.11 121.93 1hfa h GLN 47 Ca 0.21 -0.13 0.14 0.00 -0.15 0.00 0.00 58.65 58.72 1hfa h GLN 47 Cb 0.27 -0.20 -0.09 0.00 1.07 0.00 0.00 27.48 28.53 1hfa h GLN 47 CO -0.01 0.79 0.44 0.00 -2.65 0.00 0.00 178.83 177.40 1hfa h THR 49 N 0.65 0.47 -0.01 0.00 1.35 -0.55 -2.70 112.91 112.12 1hfa h THR 49 Ca 0.45 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1hfa h THR 49 Cb 0.61 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1hfa h THR 49 CO -0.34 0.16 -0.08 0.59 -0.25 0.00 0.00 175.52 175.59 1hfa n ASN 50 N -3.41 0.71 -4.65 5.36 3.02 0.17 -4.55 115.26 111.90 1hfa n ASN 50 Ca -0.00 -0.92 -0.37 0.00 -0.03 0.00 0.00 54.58 53.25 1hfa n ASN 50 Cb 0.35 -0.02 -0.09 0.00 -0.61 0.00 0.00 39.78 39.41 1hfa n ASN 50 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1hfa s GLU 51 N -2.27 4.10 0.61 3.52 0.41 -1.02 -4.97 118.70 119.08 1hfa s GLU 51 Ca 0.34 -0.06 0.31 0.00 -0.41 0.00 0.00 54.97 55.15 1hfa s GLU 51 Cb 0.21 -3.56 1.76 0.00 -1.78 0.00 0.00 34.13 30.76 1hfa s GLU 51 CO 0.43 -0.03 2.12 0.52 -0.49 0.00 0.00 175.26 177.80 1hfa h MET 52 N 7.58 0.00 -0.01 1.61 2.86 -1.88 -1.45 114.93 123.64 1hfa h MET 52 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 1hfa h MET 52 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1hfa h MET 52 CO 0.67 0.00 -0.08 0.09 1.06 0.00 0.00 176.91 178.65 1hfa n ASN 53 N -3.59 1.53 -4.79 1.22 4.13 -1.26 -4.85 115.26 107.66 1hfa n ASN 53 Ca 0.00 -1.40 -0.38 0.00 1.68 0.00 0.00 54.58 54.48 1hfa n ASN 53 Cb 0.29 0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.52 1hfa n ASN 53 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1hfa s VAL 54 N -2.14 4.41 -0.63 2.41 1.01 -0.55 -5.00 120.40 119.92 1hfa s VAL 54 Ca 0.33 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.68 1hfa s VAL 54 Cb 0.20 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1hfa s VAL 54 CO 0.38 0.43 1.03 0.21 0.00 0.00 0.00 175.10 177.15 1hfa s ASN 55 N -1.29 6.25 0.23 3.32 3.84 -1.26 -4.94 114.94 121.09 1hfa s ASN 55 Ca 0.38 -0.57 -0.07 0.00 0.21 0.00 0.00 52.86 52.81 1hfa s ASN 55 Cb -0.21 -2.46 0.32 0.00 -0.55 0.00 0.00 41.25 38.35 1hfa s ASN 55 CO 0.25 -1.43 1.80 0.40 -2.79 0.00 0.00 177.10 175.33 1hfa h ILE 56 N 6.01 0.92 -0.27 -5.21 1.08 -1.95 -2.77 117.51 115.32 1hfa h ILE 56 Ca -0.27 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1hfa h ILE 56 Cb 1.07 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1hfa h ILE 56 CO 1.16 0.13 0.12 -0.65 -0.69 0.00 0.00 178.15 178.22 1hfa h PRO 57 N 0.70 0.37 -0.26 2.37 0.11 -1.99 -0.74 132.00 132.56 1hfa h PRO 57 Ca 0.35 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 1hfa h PRO 57 Cb 0.29 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1hfa h PRO 57 CO -0.23 0.30 -0.49 1.96 -0.21 0.00 0.00 178.00 179.32 1hfa h GLN 58 N 0.37 0.80 0.08 1.05 4.20 -1.92 -1.04 115.11 118.66 1hfa h GLN 58 Ca 0.10 -0.51 0.02 0.00 0.06 0.00 0.00 58.65 58.32 1hfa h GLN 58 Cb 0.05 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1hfa h GLN 58 CO -0.01 1.14 -0.22 1.25 -0.67 0.00 0.00 178.83 180.32 1hfa h LEU 59 N 0.56 -0.62 -0.98 1.46 5.85 -1.20 -2.33 115.31 118.04 1hfa h LEU 59 Ca 0.01 0.08 0.17 0.00 0.84 0.00 0.00 57.88 58.98 1hfa h LEU 59 Cb 1.10 0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.27 1hfa h LEU 59 CO 0.11 -0.30 0.59 0.00 -0.34 0.00 0.00 178.44 178.50 1hfa h ALA 60 N 0.42 1.57 -0.24 1.25 0.00 -1.14 -2.80 119.26 118.31 1hfa h ALA 60 Ca 0.04 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 1hfa h ALA 60 Cb 0.43 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1hfa h ALA 60 CO -0.15 -0.00 -0.55 -0.44 0.00 0.00 0.00 179.25 178.12 1hfa h ASP 61 N 0.79 0.82 0.06 0.00 3.32 -1.05 -1.07 116.42 119.27 1hfa h ASP 61 Ca 0.54 -0.44 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1hfa h ASP 61 Cb 0.78 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1hfa h ASP 61 CO -0.36 1.20 -0.02 0.28 -1.72 0.00 0.00 179.24 178.62 1hfa h SER 62 N 0.56 0.00 0.16 6.45 0.02 -1.15 -1.78 113.55 117.82 1hfa h SER 62 Ca 0.01 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.74 1hfa h SER 62 Cb 1.13 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.69 1hfa h SER 62 CO 0.11 0.02 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.78 1hfa h LEU 63 N 0.00 0.58 -0.84 5.07 3.38 -1.24 -2.94 115.31 119.32 1hfa h LEU 63 Ca -0.00 -0.93 0.06 0.00 0.09 0.00 0.00 57.88 57.09 1hfa h LEU 63 Cb 0.06 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1hfa h LEU 63 CO 0.00 1.47 0.52 -0.26 0.09 0.00 0.00 178.44 180.26 1hfa h PHE 64 N -0.21 0.96 -0.87 1.13 0.04 -1.13 -2.53 116.94 114.33 1hfa h PHE 64 Ca -0.17 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1hfa h PHE 64 Cb 1.76 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 39.55 1hfa h PHE 64 CO 0.18 0.50 0.56 1.49 -0.60 0.00 0.00 178.31 180.44 1hfa h GLU 65 N 0.96 1.16 -0.07 1.51 4.81 -1.38 -0.64 114.58 120.93 1hfa h GLU 65 Ca 0.36 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1hfa h GLU 65 Cb 0.14 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1hfa h GLU 65 CO -0.16 0.78 0.08 0.00 -0.73 0.00 0.00 179.01 178.98 1hfa h ARG 66 N 1.19 0.00 -0.06 1.92 2.47 -1.26 -1.91 114.38 116.72 1hfa h ARG 66 Ca 0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.04 1hfa h ARG 66 Cb -0.11 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1hfa h ARG 66 CO -0.07 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.71 1hfa n THR 67 N -3.81 0.08 0.94 2.04 -2.24 -0.25 -2.19 114.28 108.85 1hfa n THR 67 Ca -0.01 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1hfa n THR 67 Cb 0.18 -0.02 0.24 0.00 -2.10 0.00 0.00 70.33 68.62 1hfa n THR 67 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1hfa n THR 68 N -0.35 0.15 -1.37 4.28 -2.24 -0.72 -4.96 114.28 109.08 1hfa n THR 68 Ca 0.15 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 61.11 1hfa n THR 68 Cb 0.17 1.06 0.09 0.00 -2.10 0.00 0.00 70.33 69.55 1hfa n THR 68 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1hfa s ASN 69 N -1.82 4.44 0.30 3.42 3.84 -0.93 -4.94 114.94 119.25 1hfa s ASN 69 Ca 0.33 2.01 0.22 0.00 0.21 0.00 0.00 52.86 55.63 1hfa s ASN 69 Cb 0.21 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.50 1hfa s ASN 69 CO 0.31 -2.08 1.30 0.77 -2.79 0.00 0.00 177.10 174.61 1hfa h SER 70 N -0.73 0.00 -3.36 -4.21 4.64 -1.93 -3.46 113.55 104.49 1hfa h SER 70 Ca -0.45 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.31 1hfa h SER 70 Cb 1.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.29 1hfa h SER 70 CO 0.51 0.07 0.09 -0.55 -0.87 0.00 0.00 176.83 176.07 1hfa s SER 71 N -5.84 6.98 0.35 4.97 0.15 -1.26 -4.72 113.70 114.33 1hfa s SER 71 Ca 0.03 1.18 0.08 0.00 0.70 0.00 0.00 55.95 57.94 1hfa s SER 71 Cb 0.07 -2.41 0.78 0.00 -1.71 0.00 0.00 66.02 62.75 1hfa s SER 71 CO 0.74 -0.12 1.87 4.11 1.20 0.00 0.00 173.24 181.04 1hfa h TRP 72 N 6.76 0.86 -0.20 3.44 5.08 -1.93 -2.36 115.95 127.60 1hfa h TRP 72 Ca -0.41 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.56 1hfa h TRP 72 Cb 1.20 -0.27 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 1hfa h TRP 72 CO 0.65 0.32 0.03 0.28 -1.28 0.00 0.00 178.44 178.44 1hfa h VAL 73 N 0.73 1.23 -0.29 0.12 2.07 -1.93 -1.03 116.25 117.15 1hfa h VAL 73 Ca 0.45 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1hfa h VAL 73 Cb 0.68 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1hfa h VAL 73 CO -0.21 0.23 0.12 0.58 0.02 0.00 0.00 177.57 178.31 1hfa h VAL 74 N 0.11 0.94 -0.27 2.57 2.07 -1.69 -1.94 116.25 118.05 1hfa h VAL 74 Ca 0.06 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1hfa h VAL 74 Cb 0.33 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1hfa h VAL 74 CO 0.00 0.05 0.03 0.58 0.02 0.00 0.00 177.57 178.25 1hfa h VAL 75 N 0.25 1.24 -0.39 2.57 2.07 -1.37 -2.03 116.25 118.59 1hfa h VAL 75 Ca 0.13 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1hfa h VAL 75 Cb 0.08 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1hfa h VAL 75 CO -0.12 0.27 0.05 0.15 0.02 0.00 0.00 177.57 177.94 1hfa h PHE 76 N 0.27 0.70 -0.12 1.57 3.04 -1.12 -1.94 116.94 119.34 1hfa h PHE 76 Ca 0.08 -0.10 -0.04 0.00 3.98 0.00 0.00 57.97 61.89 1hfa h PHE 76 Cb 0.36 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 1hfa h PHE 76 CO 0.03 0.70 -0.12 0.87 -2.02 0.00 0.00 178.31 177.77 1hfa h LYS 77 N 0.49 0.18 -0.22 1.11 1.57 -1.25 -0.72 116.57 117.72 1hfa h LYS 77 Ca 0.12 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.72 1hfa h LYS 77 Cb 0.39 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1hfa h LYS 77 CO 0.01 0.31 -0.43 1.03 -0.57 0.00 0.00 179.45 179.80 1hfa h SER 78 N 0.18 0.58 -0.28 0.86 0.87 -1.07 -1.05 113.55 113.64 1hfa h SER 78 Ca 0.04 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.25 1hfa h SER 78 Cb 0.32 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1hfa h SER 78 CO 0.02 0.94 -0.15 -0.07 -0.53 0.00 0.00 176.83 177.04 1hfa h LEU 79 N 0.45 0.61 -0.40 2.23 3.38 -0.75 -1.96 115.31 118.86 1hfa h LEU 79 Ca 0.03 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1hfa h LEU 79 Cb 0.93 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1hfa h LEU 79 CO 0.08 0.89 0.25 0.40 0.09 0.00 0.00 178.44 180.15 1hfa h ILE 80 N 0.33 1.12 -0.81 1.22 2.04 -1.04 -0.63 117.51 119.75 1hfa h ILE 80 Ca 0.06 -0.27 0.04 0.00 1.00 0.00 0.00 64.86 65.69 1hfa h ILE 80 Cb 0.67 0.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.28 1hfa h ILE 80 CO 0.04 0.12 0.51 0.74 0.00 0.00 0.00 178.15 179.57 1hfa h THR 81 N 0.53 1.10 -0.20 -0.27 2.02 -1.10 0.73 112.91 115.72 1hfa h THR 81 Ca 0.15 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1hfa h THR 81 Cb -0.01 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 1hfa h THR 81 CO -0.03 0.18 0.13 0.74 0.37 0.00 0.00 175.52 176.91 1hfa h THR 82 N 0.97 1.06 -0.02 3.16 2.02 -1.08 -1.45 112.91 117.57 1hfa h THR 82 Ca 0.33 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.39 1hfa h THR 82 Cb 0.06 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1hfa h THR 82 CO -0.13 0.06 0.01 -0.74 0.37 0.00 0.00 175.52 175.09 1hfa h HIS 83 N 0.26 0.03 -0.94 3.16 6.17 -0.59 -1.66 115.15 121.58 1hfa h HIS 83 Ca 0.07 0.00 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1hfa h HIS 83 Cb -0.02 -0.01 -0.05 0.00 2.52 0.00 0.00 27.41 29.85 1hfa h HIS 83 CO -0.06 0.02 0.62 1.25 0.71 0.00 0.00 177.93 180.46 1hfa h HIS 84 N 0.03 1.15 -0.02 5.26 6.17 -0.60 -0.70 115.15 126.43 1hfa h HIS 84 Ca 0.01 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.03 1hfa h HIS 84 Cb -0.00 -0.38 -0.01 0.00 2.52 0.00 0.00 27.41 29.53 1hfa h HIS 84 CO -0.08 0.68 -0.40 -0.07 0.71 0.00 0.00 177.93 178.77 1hfa h LEU 85 N 1.20 0.05 -0.59 0.26 3.38 -1.00 0.13 115.31 118.75 1hfa h LEU 85 Ca 0.36 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 1hfa h LEU 85 Cb -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1hfa h LEU 85 CO -0.10 0.44 -0.69 0.24 0.09 0.00 0.00 178.44 178.42 1hfa h MET 86 N 0.04 0.00 0.11 1.13 2.86 -0.20 0.25 114.93 119.11 1hfa h MET 86 Ca 0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 1hfa h MET 86 Cb 0.72 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.36 1hfa h MET 86 CO 0.05 0.69 -1.88 0.28 1.06 0.00 0.00 176.91 177.11 1hfa h VAL 87 N 0.00 0.74 0.00 -2.22 2.07 -0.87 -3.40 116.25 112.56 1hfa h VAL 87 Ca -0.01 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1hfa h VAL 87 Cb 1.24 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1hfa h VAL 87 CO 0.09 0.81 -0.44 -1.22 0.02 0.00 0.00 177.57 176.83 1hfa n TYR 88 N -3.40 0.00 -2.13 1.57 4.01 -0.00 -5.03 117.16 112.17 1hfa n TYR 88 Ca -0.27 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.20 1hfa n TYR 88 Cb 1.05 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 40.13 1hfa n TYR 88 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1hfa s GLY 89 N -1.79 1.66 0.55 2.72 0.00 0.07 -5.02 107.32 105.51 1hfa s GLY 89 Ca 0.02 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.71 1hfa s GLY 89 CO 0.29 -0.40 1.35 0.21 0.00 0.00 0.00 173.10 174.55 1hfa s ASN 90 N -4.51 5.27 0.58 1.64 3.84 -1.26 -4.88 114.94 115.62 1hfa s ASN 90 Ca 0.60 2.74 0.37 0.00 0.21 0.00 0.00 52.86 56.78 1hfa s ASN 90 Cb -0.11 -2.63 2.02 0.00 -0.55 0.00 0.00 41.25 39.98 1hfa s ASN 90 CO 0.46 -1.57 2.14 -0.08 -2.79 0.00 0.00 177.10 175.26 1hfa h GLU 91 N 1.44 0.00 0.00 0.43 4.81 -1.93 -1.30 114.58 118.02 1hfa h GLU 91 Ca -0.51 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1hfa h GLU 91 Cb 1.30 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.68 1hfa h GLU 91 CO 0.57 0.00 -0.04 0.07 -0.73 0.00 0.00 179.01 178.89 1hfa h ARG 92 N 0.00 0.00 0.19 1.92 0.11 -1.90 -2.44 114.38 112.27 1hfa h ARG 92 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1hfa h ARG 92 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1hfa h ARG 92 CO 0.00 0.04 -0.09 0.35 0.10 0.00 0.00 179.97 180.36 1hfa h PHE 93 N 0.00 -0.24 -0.58 4.08 3.57 -1.57 -2.20 116.94 119.99 1hfa h PHE 93 Ca -0.00 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1hfa h PHE 93 Cb 0.29 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 1hfa h PHE 93 CO 0.00 0.16 0.09 0.97 -2.23 0.00 0.00 178.31 177.31 1hfa h ILE 94 N -0.79 1.25 -0.70 1.41 2.10 -1.70 -2.32 117.51 116.76 1hfa h ILE 94 Ca -0.03 -0.96 0.13 0.00 1.08 0.00 0.00 64.86 65.08 1hfa h ILE 94 Cb 0.52 0.70 -0.09 0.00 -1.09 0.00 0.00 36.82 36.85 1hfa h ILE 94 CO 0.04 0.35 0.24 -0.61 -1.08 0.00 0.00 178.15 177.10 1hfa h GLN 95 N 0.89 0.38 -0.47 2.19 4.15 -1.46 0.51 115.11 121.29 1hfa h GLN 95 Ca 0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1hfa h GLN 95 Cb 0.39 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1hfa h GLN 95 CO 0.01 0.25 0.20 -0.92 -1.93 0.00 0.00 178.83 176.44 1hfa h TYR 96 N 0.39 0.70 -0.98 3.99 3.20 -1.02 -2.55 116.97 120.71 1hfa h TYR 96 Ca 0.37 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1hfa h TYR 96 Cb 0.55 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.56 1hfa h TYR 96 CO -0.19 0.58 0.65 -0.07 -1.64 0.00 0.00 178.16 177.49 1hfa h LEU 97 N 0.62 1.13 -1.14 2.82 3.38 -0.98 -1.57 115.31 119.56 1hfa h LEU 97 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1hfa h LEU 97 Cb 0.16 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1hfa h LEU 97 CO -0.02 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.33 1hfa h ALA 98 N 1.36 1.00 -0.00 1.53 0.00 -0.77 -3.10 119.26 119.27 1hfa h ALA 98 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1hfa h ALA 98 Cb -0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1hfa h ALA 98 CO -0.08 0.00 -0.35 -1.13 0.00 0.00 0.00 179.25 177.69 1hfa n SER 99 N -2.82 0.67 -4.13 0.00 3.41 -0.60 -4.75 113.62 105.41 1hfa n SER 99 Ca 0.01 -0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 57.84 1hfa n SER 99 Cb 0.30 0.14 0.20 0.00 -0.26 0.00 0.00 64.21 64.59 1hfa n SER 99 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1hfa s ARG 100 N -2.76 -0.19 -0.13 4.33 0.52 -1.17 -5.02 118.95 114.52 1hfa s ARG 100 Ca 0.18 -0.07 0.11 0.00 -0.52 0.00 0.00 55.73 55.43 1hfa s ARG 100 Cb 0.18 -1.72 -0.16 0.00 0.52 0.00 0.00 34.95 33.78 1hfa s ARG 100 CO 0.60 -3.03 0.03 -1.71 0.02 0.00 0.00 175.30 171.22 1hfa n ASN 101 N -4.28 1.85 -4.23 0.23 4.05 -1.26 -4.97 115.26 106.65 1hfa n ASN 101 Ca 0.12 -0.01 -0.24 0.00 0.45 0.00 0.00 54.58 54.90 1hfa n ASN 101 Cb 0.59 0.74 -0.14 0.00 1.23 0.00 0.00 39.78 42.21 1hfa n ASN 101 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1hfa s THR 102 N -2.32 1.55 0.00 -0.44 -4.23 -1.26 -5.11 115.64 103.84 1hfa s THR 102 Ca -0.08 -1.16 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1hfa s THR 102 Cb 0.04 -1.36 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1hfa s THR 102 CO 0.52 0.17 0.00 0.18 -0.54 0.00 0.00 174.62 174.95 1hfa n LEU 103 N 1.86 0.00 -4.79 4.79 4.77 -1.26 -5.08 117.00 117.29 1hfa n LEU 103 Ca -0.17 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.42 1hfa n LEU 103 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.57 1hfa n LEU 103 CO 0.23 0.00 0.34 -0.36 -1.33 0.00 0.00 177.39 176.27 1hfa s PHE 104 N 3.06 3.80 -0.65 -1.77 0.08 -1.26 -4.99 117.98 116.24 1hfa s PHE 104 Ca 0.00 1.36 0.05 0.00 0.12 0.00 0.00 56.93 58.45 1hfa s PHE 104 Cb 0.00 -2.61 0.17 0.00 -0.57 0.00 0.00 43.02 40.01 1hfa s PHE 104 CO 0.00 0.49 0.47 1.21 -0.10 0.00 0.00 175.22 177.29 1hfa s ASN 105 N -0.82 4.22 -0.12 1.36 2.47 -1.26 -4.85 114.94 115.93 1hfa s ASN 105 Ca 0.32 -3.72 0.16 0.00 0.42 0.00 0.00 52.86 50.04 1hfa s ASN 105 Cb -0.20 -1.42 0.27 0.00 -1.45 0.00 0.00 41.25 38.45 1hfa s ASN 105 CO 0.21 -0.10 1.14 0.18 -3.72 0.00 0.00 177.10 174.81 1hfa n LEU 106 N 2.12 2.12 0.34 3.21 4.77 -1.26 -4.74 117.00 123.56 1hfa n LEU 106 Ca 0.22 -2.93 0.22 0.00 -0.03 0.00 0.00 56.01 53.49 1hfa n LEU 106 Cb 0.37 -0.39 1.18 0.00 -2.33 0.00 0.00 43.42 42.26 1hfa n LEU 106 CO 0.24 0.72 1.18 0.77 -1.33 0.00 0.00 177.39 178.96 1hfa h SER 107 N 0.09 0.00 -0.11 -1.43 4.64 -1.89 -1.40 113.55 113.45 1hfa h SER 107 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1hfa h SER 107 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1hfa h SER 107 CO 0.00 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.55 1hfa n ASN 108 N -3.10 2.71 -4.76 4.97 3.02 -1.26 -4.99 115.26 111.84 1hfa n ASN 108 Ca -0.03 -2.66 -0.41 0.00 -0.03 0.00 0.00 54.58 51.45 1hfa n ASN 108 Cb 0.10 -0.33 -0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1hfa n ASN 108 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1hfa s PHE 109 N -2.15 2.74 -0.23 3.10 5.36 -0.53 -5.00 117.98 121.27 1hfa s PHE 109 Ca 0.25 1.05 -0.06 0.00 -0.96 0.00 0.00 56.93 57.21 1hfa s PHE 109 Cb 0.20 -3.98 0.11 0.00 -0.34 0.00 0.00 43.02 39.02 1hfa s PHE 109 CO 0.05 -3.03 0.47 -1.17 -1.46 0.00 0.00 175.22 170.08 1hfa s LEU 110 N -1.32 -0.79 -0.22 6.12 2.96 -1.26 -4.80 118.68 119.37 1hfa s LEU 110 Ca 0.57 0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 55.36 1hfa s LEU 110 Cb -0.46 1.54 -0.03 0.00 0.50 0.00 0.00 46.19 47.74 1hfa s LEU 110 CO 0.55 -0.24 0.05 -0.62 -1.32 0.00 0.00 176.35 174.76 1hfa s ASP 111 N 2.67 5.14 -0.06 3.68 -1.08 -1.26 -4.96 116.67 120.79 1hfa s ASP 111 Ca 0.02 -0.15 0.10 0.00 -0.52 0.00 0.00 52.55 52.00 1hfa s ASP 111 Cb -0.13 -1.90 0.26 0.00 -1.46 0.00 0.00 42.92 39.69 1hfa s ASP 111 CO -0.15 0.04 1.20 0.29 0.52 0.00 0.00 175.17 177.06 1hfa n LYS 112 N 4.45 2.61 0.00 4.34 5.02 -1.26 -2.44 118.16 130.88 1hfa n LYS 112 Ca -0.16 -2.17 0.12 0.00 -2.02 0.00 0.00 58.31 54.08 1hfa n LYS 112 Cb 0.52 -1.36 0.53 0.00 -0.02 0.00 0.00 35.03 34.70 1hfa n LYS 112 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1hfa n SER 113 N -0.39 0.00 -3.62 4.39 3.41 -1.26 -4.85 113.62 111.30 1hfa n SER 113 Ca 0.11 0.47 -0.02 0.00 -0.26 0.00 0.00 58.87 59.17 1hfa n SER 113 Cb 0.52 -0.49 -0.01 0.00 -0.26 0.00 0.00 64.21 63.97 1hfa n SER 113 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1hfa s GLY 114 N -2.98 -0.35 0.08 5.00 0.00 -1.26 -5.00 107.32 102.81 1hfa s GLY 114 Ca 0.12 0.89 -0.24 0.00 0.00 0.00 0.00 44.72 45.50 1hfa s GLY 114 CO 0.44 0.25 1.69 -2.00 0.00 0.00 0.00 173.10 173.48 1hfa h LEU 115 N 2.00 -0.07 -0.88 0.66 5.85 -1.93 -2.57 115.31 118.36 1hfa h LEU 115 Ca -0.22 -0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.69 1hfa h LEU 115 Cb 1.20 0.02 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 1hfa h LEU 115 CO 0.27 -0.01 0.32 -0.61 -0.34 0.00 0.00 178.44 178.07 1hfa h GLN 116 N -0.12 0.29 -0.39 1.25 4.15 -1.96 0.15 115.11 118.47 1hfa h GLN 116 Ca -0.01 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.48 1hfa h GLN 116 Cb 0.10 -0.07 -0.08 0.00 0.21 0.00 0.00 27.48 27.64 1hfa h GLN 116 CO 0.01 0.19 -0.17 0.78 -1.93 0.00 0.00 178.83 177.72 1hfa h GLY 117 N 0.30 0.15 1.00 2.39 0.00 -1.70 -0.05 103.07 105.16 1hfa h GLY 117 Ca 0.56 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 1hfa h GLY 117 CO -0.59 -0.18 0.20 -0.97 0.00 0.00 0.00 176.54 175.00 1hfa h TYR 118 N -0.09 0.91 -0.01 5.60 0.05 -0.42 -1.88 116.97 121.12 1hfa h TYR 118 Ca 0.19 -0.08 -0.15 0.00 0.05 0.00 0.00 58.73 58.75 1hfa h TYR 118 Cb 0.39 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1hfa h TYR 118 CO -0.41 0.75 -0.67 -0.44 -1.05 0.00 0.00 178.16 176.34 1hfa h ASP 119 N 0.81 0.08 0.90 3.88 3.32 -0.72 -3.21 116.42 121.47 1hfa h ASP 119 Ca 0.19 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 1hfa h ASP 119 Cb 0.25 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 1hfa h ASP 119 CO -0.01 0.73 -1.18 0.24 -1.72 0.00 0.00 179.24 177.30 1hfa h MET 120 N 0.05 0.00 -0.88 3.56 2.86 -0.93 -3.31 114.93 116.28 1hfa h MET 120 Ca -0.01 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1hfa h MET 120 Cb 1.19 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.78 1hfa h MET 120 CO 0.09 0.60 0.52 0.77 1.06 0.00 0.00 176.91 179.95 1hfa h SER 121 N 0.00 0.76 -0.70 1.22 0.02 -1.34 0.84 113.55 114.35 1hfa h SER 121 Ca -0.12 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 1hfa h SER 121 Cb 1.71 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 64.12 1hfa h SER 121 CO 0.08 0.42 0.29 0.74 -1.14 0.00 0.00 176.83 177.23 1hfa h THR 122 N 0.86 1.24 -0.21 -2.27 2.02 -1.70 -2.58 112.91 110.29 1hfa h THR 122 Ca 0.43 -0.74 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1hfa h THR 122 Cb 0.39 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1hfa h THR 122 CO -0.25 0.30 -0.21 -0.26 0.37 0.00 0.00 175.52 175.47 1hfa h PHE 123 N 0.99 0.40 -0.72 3.16 0.04 -1.06 -2.72 116.94 117.03 1hfa h PHE 123 Ca 0.23 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 1hfa h PHE 123 Cb 0.19 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1hfa h PHE 123 CO 0.01 0.55 0.44 0.82 -0.60 0.00 0.00 178.31 179.54 1hfa h ILE 124 N 0.33 1.20 -0.53 -0.55 2.04 -1.00 0.10 117.51 119.11 1hfa h ILE 124 Ca 0.06 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1hfa h ILE 124 Cb 0.55 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1hfa h ILE 124 CO 0.04 0.21 0.31 0.03 0.00 0.00 0.00 178.15 178.73 1hfa h ARG 125 N 0.97 0.73 -0.00 2.37 3.08 -1.33 -1.00 114.38 119.21 1hfa h ARG 125 Ca 0.26 -0.07 -0.27 0.00 0.07 0.00 0.00 59.98 59.97 1hfa h ARG 125 Cb -0.05 -0.15 0.02 0.00 0.08 0.00 0.00 29.97 29.87 1hfa h ARG 125 CO -0.05 0.54 -1.05 0.00 -1.07 0.00 0.00 179.97 178.34 1hfa h ARG 126 N 0.71 0.71 -0.53 0.04 3.08 -1.19 -2.43 114.38 114.78 1hfa h ARG 126 Ca 0.19 -0.76 -0.04 0.00 0.07 0.00 0.00 59.98 59.43 1hfa h ARG 126 Cb 0.01 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1hfa h ARG 126 CO -0.03 1.33 0.16 -0.92 -1.07 0.00 0.00 179.97 179.44 1hfa h TYR 127 N 0.40 0.86 -0.58 3.04 3.20 -0.65 -2.52 116.97 120.71 1hfa h TYR 127 Ca -0.13 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.56 1hfa h TYR 127 Cb 1.70 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 1hfa h TYR 127 CO 0.10 0.73 0.02 0.66 -1.64 0.00 0.00 178.16 178.03 1hfa h SER 128 N 0.73 0.96 -0.88 -2.11 4.64 -1.18 -0.85 113.55 114.87 1hfa h SER 128 Ca 0.17 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1hfa h SER 128 Cb 0.28 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1hfa h SER 128 CO -0.00 1.01 0.57 -0.09 -0.87 0.00 0.00 176.83 177.45 1hfa h ARG 129 N 0.92 1.17 -0.01 4.77 2.43 -1.36 -1.71 114.38 120.58 1hfa h ARG 129 Ca 0.17 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1hfa h ARG 129 Cb 0.51 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1hfa h ARG 129 CO 0.02 0.78 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.34 1hfa h TYR 130 N 1.20 -0.01 -0.49 2.20 3.20 -0.94 -2.15 116.97 119.98 1hfa h TYR 130 Ca 0.32 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.20 1hfa h TYR 130 Cb -0.12 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1hfa h TYR 130 CO -0.01 -0.01 0.33 -0.07 -1.64 0.00 0.00 178.16 176.76 1hfa h LEU 131 N -0.00 0.55 -0.57 2.82 3.38 -0.87 -0.86 115.31 119.75 1hfa h LEU 131 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1hfa h LEU 131 Cb 0.01 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1hfa h LEU 131 CO -0.01 0.39 0.24 0.78 0.09 0.00 0.00 178.44 179.93 1hfa h ASN 132 N 0.64 0.78 0.22 -0.43 2.35 -1.12 -2.12 115.58 115.89 1hfa h ASN 132 Ca 0.18 -0.16 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1hfa h ASN 132 Cb -0.04 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1hfa h ASN 132 CO -0.04 0.72 -0.62 -0.08 -1.65 0.00 0.00 177.43 175.75 1hfa h GLU 133 N 0.78 0.40 -0.64 0.81 4.57 -0.82 -0.71 114.58 118.97 1hfa h GLU 133 Ca 0.19 -0.28 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1hfa h GLU 133 Cb 0.18 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1hfa h GLU 133 CO -0.02 0.89 0.41 -0.22 -1.18 0.00 0.00 179.01 178.89 1hfa h LYS 134 N 0.29 0.78 -0.49 1.92 3.64 -0.82 -0.81 116.57 121.08 1hfa h LYS 134 Ca -0.01 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1hfa h LYS 134 Cb 1.16 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 1hfa h LYS 134 CO 0.11 0.52 -0.11 0.00 -2.27 0.00 0.00 179.45 177.69 1hfa h ALA 135 N 1.27 0.67 -0.27 5.00 0.00 -0.96 -2.80 119.26 122.17 1hfa h ALA 135 Ca 0.25 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1hfa h ALA 135 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1hfa h ALA 135 CO -0.09 0.58 -0.18 0.28 0.00 0.00 0.00 179.25 179.84 1hfa h VAL 136 N 0.80 1.25 -0.63 0.00 2.07 -0.82 -1.57 116.25 117.34 1hfa h VAL 136 Ca 0.12 -1.13 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1hfa h VAL 136 Cb 0.67 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1hfa h VAL 136 CO 0.05 0.36 0.11 -1.28 0.02 0.00 0.00 177.57 176.83 1hfa h SER 137 N 0.44 1.00 -0.61 0.57 0.87 -1.15 -1.28 113.55 113.40 1hfa h SER 137 Ca 0.07 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1hfa h SER 137 Cb 0.57 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 1hfa h SER 137 CO 0.04 1.01 0.38 0.22 -0.53 0.00 0.00 176.83 177.95 1hfa h TYR 138 N 0.96 0.72 -0.41 2.24 5.03 -1.18 -1.96 116.97 122.37 1hfa h TYR 138 Ca 0.19 0.02 0.01 0.00 2.58 0.00 0.00 58.73 61.53 1hfa h TYR 138 Cb 0.43 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 1hfa h TYR 138 CO 0.03 0.43 0.27 -0.09 -1.32 0.00 0.00 178.16 177.48 1hfa h ARG 139 N 0.77 0.53 -0.87 1.82 2.43 -0.81 -0.93 114.38 117.32 1hfa h ARG 139 Ca 0.24 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1hfa h ARG 139 Cb -0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1hfa h ARG 139 CO -0.08 0.35 0.48 1.96 -1.51 0.00 0.00 179.97 181.17 1hfa h GLN 140 N 0.55 1.22 -0.00 0.20 4.20 -0.97 -3.35 115.11 116.95 1hfa h GLN 140 Ca 0.15 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1hfa h GLN 140 Cb -0.05 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.49 1hfa h GLN 140 CO -0.04 0.90 -0.02 1.33 -0.67 0.00 0.00 178.83 180.32 1hfa n VAL 141 N -4.35 0.00 -1.75 -0.54 0.24 -0.76 -5.02 118.33 106.15 1hfa n VAL 141 Ca 0.09 -0.49 -0.20 0.00 -2.04 0.00 0.00 64.34 61.70 1hfa n VAL 141 Cb 0.10 1.06 -0.07 0.00 -1.47 0.00 0.00 33.84 33.46 1hfa n VAL 141 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hfa n ALA 142 N 0.00 -0.37 -3.12 2.33 0.00 -0.36 -4.98 120.51 114.02 1hfa n ALA 142 Ca 0.02 0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.66 1hfa n ALA 142 Cb 0.09 -2.03 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 1hfa n ALA 142 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1hfa s PHE 143 N -2.80 0.14 -0.34 0.00 -0.71 -1.26 -5.08 117.98 107.93 1hfa s PHE 143 Ca 0.00 -0.50 -0.13 0.00 -1.04 0.00 0.00 56.93 55.26 1hfa s PHE 143 Cb 0.00 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1hfa s PHE 143 CO 0.00 -0.89 0.24 0.34 -1.34 0.00 0.00 175.22 173.58 1hfa s ASP 144 N -2.94 6.06 0.53 1.98 -1.08 -1.26 -4.48 116.67 115.49 1hfa s ASP 144 Ca 0.15 -0.44 0.28 0.00 -0.52 0.00 0.00 52.55 52.01 1hfa s ASP 144 Cb 0.00 -2.14 1.42 0.00 -1.46 0.00 0.00 42.92 40.75 1hfa s ASP 144 CO 0.01 -0.25 1.93 -0.26 0.52 0.00 0.00 175.17 177.13 1hfa h PHE 145 N 8.50 0.03 0.00 -5.34 0.04 -1.98 -1.33 116.94 116.85 1hfa h PHE 145 Ca -0.31 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.44 1hfa h PHE 145 Cb 1.16 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.29 1hfa h PHE 145 CO 0.66 0.01 -0.09 1.79 -0.60 0.00 0.00 178.31 180.08 1hfa h THR 146 N 0.02 0.18 0.00 -1.55 1.35 -1.92 -3.37 112.91 107.62 1hfa h THR 146 Ca 0.35 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1hfa h THR 146 Cb 1.38 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 1hfa h THR 146 CO -0.01 0.08 -1.35 0.29 -0.25 0.00 0.00 175.52 174.28 1hfa n LYS 147 N -3.16 0.83 -1.90 4.72 5.02 -0.51 -4.93 118.16 118.23 1hfa n LYS 147 Ca 0.02 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1hfa n LYS 147 Cb 0.45 -1.23 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 1hfa n LYS 147 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hfa s VAL 148 N -2.66 4.09 0.07 -0.18 -7.23 -1.17 -4.93 120.40 108.39 1hfa s VAL 148 Ca -0.03 0.84 -0.36 0.00 -1.81 0.00 0.00 61.98 60.62 1hfa s VAL 148 Cb 0.07 -3.49 -0.15 0.00 0.56 0.00 0.00 36.38 33.37 1hfa s VAL 148 CO 0.46 -0.73 1.47 0.29 -0.31 0.00 0.00 175.10 176.29 1hfa n LYS 149 N -2.45 1.51 -2.64 4.82 5.02 -1.26 -4.99 118.16 118.17 1hfa n LYS 149 Ca 0.08 0.55 -0.16 0.00 -2.02 0.00 0.00 58.31 56.76 1hfa n LYS 149 Cb 0.53 -2.24 0.04 0.00 -0.02 0.00 0.00 35.03 33.34 1hfa n LYS 149 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1hfa n ARG 150 N 3.22 0.74 0.00 1.97 1.74 -1.26 -3.88 116.66 119.19 1hfa n ARG 150 Ca 0.19 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.87 1hfa n ARG 150 Cb 0.22 -0.08 0.00 0.00 -1.02 0.00 0.00 32.46 31.58 1hfa n ARG 150 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1hfa n GLY 151 N -0.23 0.84 0.00 -0.13 0.00 -1.26 -4.05 105.19 100.35 1hfa n GLY 151 Ca 0.09 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1hfa n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hfa n ALA 152 N 0.36 0.37 -0.07 4.61 0.00 -1.26 -4.74 120.51 119.77 1hfa n ALA 152 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1hfa n ALA 152 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 1hfa n ALA 152 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1hfa n ASP 153 N -0.22 3.72 -4.10 0.00 -0.08 -1.26 -4.62 116.55 109.99 1hfa n ASP 153 Ca 0.00 -2.33 -0.31 0.00 -1.51 0.00 0.00 54.79 50.64 1hfa n ASP 153 Cb 0.00 -0.50 -0.17 0.00 2.34 0.00 0.00 41.12 42.80 1hfa n ASP 153 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1hfa s GLY 154 N -0.80 1.20 0.00 0.27 0.00 -1.26 -4.93 107.32 101.81 1hfa s GLY 154 Ca 0.39 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.17 1hfa s GLY 154 CO 0.19 0.18 0.00 -0.62 0.00 0.00 0.00 173.10 172.85 1hfa n VAL 155 N 4.26 0.00 -0.32 1.40 0.31 -1.25 0.31 118.33 123.04 1hfa n VAL 155 Ca -0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.13 1hfa n VAL 155 Cb 0.51 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.50 1hfa n VAL 155 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1hfa h MET 156 N 0.00 -0.04 -0.15 5.55 2.86 -1.94 -2.62 114.93 118.59 1hfa h MET 156 Ca 0.00 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.57 1hfa h MET 156 Cb 0.00 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1hfa h MET 156 CO 0.00 -0.03 -0.20 0.00 1.06 0.00 0.00 176.91 177.75 1hfa h ARG 157 N -0.04 0.40 -2.52 1.72 3.08 0.46 -3.34 114.38 114.13 1hfa h ARG 157 Ca 0.34 -0.23 -0.68 0.00 0.07 0.00 0.00 59.98 59.48 1hfa h ARG 157 Cb 0.60 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 30.55 1hfa h ARG 157 CO -0.89 0.81 2.09 2.41 -1.07 0.00 0.00 179.97 183.31 1hfa n THR 158 N -4.49 4.79 -4.87 2.04 -1.04 -0.99 -4.78 114.28 104.94 1hfa n THR 158 Ca -0.06 -3.90 -0.27 0.00 -2.04 0.00 0.00 64.05 57.78 1hfa n THR 158 Cb 0.40 -2.02 -0.16 0.00 -1.82 0.00 0.00 70.33 66.73 1hfa n THR 158 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1hfa s MET 159 N -0.98 1.96 0.93 -2.82 -2.45 -1.24 -4.84 119.30 109.86 1hfa s MET 159 Ca 0.56 -0.63 -0.11 0.00 -1.25 0.00 0.00 55.69 54.26 1hfa s MET 159 Cb 0.22 -1.65 0.11 0.00 1.25 0.00 0.00 34.83 34.76 1hfa s MET 159 CO -0.11 0.22 0.93 0.27 1.05 0.00 0.00 175.02 177.38 1hfa n ASN 160 N 3.26 -0.36 0.26 1.11 0.23 -1.26 -4.71 115.26 113.79 1hfa n ASN 160 Ca -0.19 0.40 0.10 0.00 -0.53 0.00 0.00 54.58 54.36 1hfa n ASN 160 Cb 0.53 -1.40 0.69 0.00 -2.08 0.00 0.00 39.78 37.52 1hfa n ASN 160 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1hfa h THR 161 N -1.78 0.80 0.25 5.53 1.03 -1.99 -2.48 112.91 114.26 1hfa h THR 161 Ca -0.43 -0.35 -0.01 0.00 -0.01 0.00 0.00 66.41 65.60 1hfa h THR 161 Cb 1.27 1.21 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1hfa h THR 161 CO 0.39 0.09 -0.12 -0.08 -0.01 0.00 0.00 175.52 175.79 1hfa h GLU 162 N 0.00 -0.33 -0.74 0.00 4.81 -2.00 -2.86 114.58 113.46 1hfa h GLU 162 Ca -0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1hfa h GLU 162 Cb 0.20 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 1hfa h GLU 162 CO 0.01 0.03 0.47 -0.22 -0.73 0.00 0.00 179.01 178.58 1hfa h LYS 163 N -0.88 0.89 -0.66 1.92 1.63 -1.91 -2.59 116.57 114.98 1hfa h LYS 163 Ca -0.03 -0.05 0.11 0.00 -0.85 0.00 0.00 60.65 59.82 1hfa h LYS 163 Cb 0.51 -0.20 -0.08 0.00 -0.60 0.00 0.00 32.23 31.86 1hfa h LYS 163 CO 0.06 0.59 0.26 1.25 -3.45 0.00 0.00 179.45 178.16 1hfa h LEU 164 N 0.92 0.26 -1.60 5.20 5.85 -1.47 0.88 115.31 125.34 1hfa h LEU 164 Ca 0.30 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.09 1hfa h LEU 164 Cb 0.01 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1hfa h LEU 164 CO -0.11 0.14 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.01 1hfa h LEU 165 N 0.44 0.00 0.15 2.25 3.38 -1.23 -2.29 115.31 118.01 1hfa h LEU 165 Ca 0.34 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.05 1hfa h LEU 165 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1hfa h LEU 165 CO -0.34 0.05 -1.27 0.11 0.09 0.00 0.00 178.44 177.08 1hfa h LYS 166 N 0.00 0.33 -0.01 1.13 1.79 0.97 -3.41 116.57 117.37 1hfa h LYS 166 Ca -0.00 -0.56 -0.03 0.00 -2.18 0.00 0.00 60.65 57.88 1hfa h LYS 166 Cb 0.48 0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 1hfa h LYS 166 CO 0.01 1.27 -0.12 1.15 -1.08 0.00 0.00 179.45 180.67 1hfa h THR 167 N -0.21 1.56 -0.79 -0.16 2.02 -0.57 -3.38 112.91 111.37 1hfa h THR 167 Ca -0.25 -1.80 0.17 0.00 0.77 0.00 0.00 66.41 65.30 1hfa h THR 167 Cb 1.83 2.72 -0.11 0.00 -1.74 0.00 0.00 68.15 70.85 1hfa h THR 167 CO 0.14 0.48 0.28 0.58 0.37 0.00 0.00 175.52 177.37 1hfa h VAL 168 N -0.59 0.55 0.00 3.16 2.07 -1.66 0.75 116.25 120.54 1hfa h VAL 168 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1hfa h VAL 168 Cb 0.86 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1hfa h VAL 168 CO 0.02 0.07 -0.01 -0.65 0.02 0.00 0.00 177.57 177.02 1hfa h PRO 169 N 0.37 0.00 -0.02 1.57 0.11 -1.82 -2.01 132.00 130.20 1hfa h PRO 169 Ca 0.46 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.50 1hfa h PRO 169 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1hfa h PRO 169 CO -0.48 0.01 -0.26 0.82 -0.21 0.00 0.00 178.00 177.89 1hfa h ILE 170 N 0.00 1.51 -0.97 4.15 2.04 0.33 -2.08 117.51 122.49 1hfa h ILE 170 Ca -0.00 -1.85 0.20 0.00 1.00 0.00 0.00 64.86 64.21 1hfa h ILE 170 Cb 0.03 2.63 -0.09 0.00 -0.74 0.00 0.00 36.82 38.65 1hfa h ILE 170 CO 0.00 0.51 0.61 0.40 0.00 0.00 0.00 178.15 179.68 1hfa h ILE 171 N -0.41 0.69 -0.19 -0.67 2.04 -1.03 -1.31 117.51 116.64 1hfa h ILE 171 Ca -0.03 -0.22 -0.18 0.00 1.00 0.00 0.00 64.86 65.44 1hfa h ILE 171 Cb 0.97 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1hfa h ILE 171 CO 0.05 0.11 -0.61 -0.61 0.00 0.00 0.00 178.15 177.09 1hfa h GLN 172 N 0.63 0.63 -0.56 2.37 -0.00 -1.19 0.43 115.11 117.42 1hfa h GLN 172 Ca 0.54 -0.44 -0.10 0.00 -0.00 0.00 0.00 58.65 58.65 1hfa h GLN 172 Cb 1.02 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.55 1hfa h GLN 172 CO -0.30 1.05 -0.04 -0.97 0.00 0.00 0.00 178.83 178.57 1hfa h ASN 173 N 0.47 1.00 -0.42 -0.69 -0.73 -0.55 -1.05 115.58 113.61 1hfa h ASN 173 Ca -0.01 -0.33 -0.09 0.00 1.87 0.00 0.00 56.30 57.75 1hfa h ASN 173 Cb 1.19 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 39.49 1hfa h ASN 173 CO 0.12 1.09 -0.07 -0.61 -0.37 0.00 0.00 177.43 177.59 1hfa h GLN 174 N 0.89 0.86 -0.56 6.67 4.15 -0.71 -2.55 115.11 123.86 1hfa h GLN 174 Ca 0.15 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 1hfa h GLN 174 Cb 0.60 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.19 1hfa h GLN 174 CO 0.04 0.90 0.23 1.98 -1.93 0.00 0.00 178.83 180.04 1hfa h MET 175 N 0.78 0.83 -0.71 1.69 4.05 -0.82 -1.23 114.93 119.52 1hfa h MET 175 Ca 0.14 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 1hfa h MET 175 Cb 0.57 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 1hfa h MET 175 CO 0.03 0.72 0.32 -0.44 0.23 0.00 0.00 176.91 177.77 1hfa h ASP 176 N 0.76 0.96 -0.13 1.39 3.32 -0.93 -1.00 116.42 120.79 1hfa h ASP 176 Ca 0.19 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1hfa h ASP 176 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1hfa h ASP 176 CO -0.02 0.84 -0.24 0.00 -1.72 0.00 0.00 179.24 178.11 1hfa h ALA 177 N 1.15 1.03 0.25 3.45 0.00 -1.00 -1.96 119.26 122.18 1hfa h ALA 177 Ca 0.24 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1hfa h ALA 177 Cb 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1hfa h ALA 177 CO -0.03 0.58 -0.12 1.25 0.00 0.00 0.00 179.25 180.94 1hfa h LEU 178 N 0.50 -0.28 -2.28 0.00 6.46 -0.90 -3.06 115.31 115.74 1hfa h LEU 178 Ca 0.07 -0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1hfa h LEU 178 Cb 0.69 0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.69 1hfa h LEU 178 CO 0.05 -0.03 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.74 1hfa h LEU 179 N -0.53 0.00 0.00 2.25 3.38 -0.84 -2.32 115.31 117.24 1hfa h LEU 179 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hfa h LEU 179 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1hfa h LEU 179 CO 0.06 0.03 0.00 0.47 0.09 0.00 0.00 178.44 179.08 1hfa n ASP 180 N -3.24 0.00 -0.34 -0.43 8.00 -0.77 -1.99 116.55 117.79 1hfa n ASP 180 Ca -0.02 0.48 0.10 0.00 0.71 0.00 0.00 54.79 56.07 1hfa n ASP 180 Cb 0.18 -0.49 0.28 0.00 -0.02 0.00 0.00 41.12 41.07 1hfa n ASP 180 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1hfa h PHE 181 N 0.00 1.00 -6.68 1.24 3.57 -1.52 -3.47 116.94 111.08 1hfa h PHE 181 Ca 0.00 0.03 -0.54 0.00 3.53 0.00 0.00 57.97 61.00 1hfa h PHE 181 Cb 0.30 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.68 1hfa h PHE 181 CO 0.00 0.26 -0.94 -1.71 -2.23 0.00 0.00 178.31 173.69 1hfa n ASN 182 N -4.77 -1.42 -4.90 0.41 5.15 -0.84 -4.97 115.26 103.91 1hfa n ASN 182 Ca 0.21 -1.13 -0.28 0.00 -0.60 0.00 0.00 54.58 52.78 1hfa n ASN 182 Cb 0.50 -2.49 -0.03 0.00 -0.53 0.00 0.00 39.78 37.23 1hfa n ASN 182 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1hfa s VAL 183 N -3.92 4.99 0.24 3.44 0.11 -1.26 -5.11 120.40 118.89 1hfa s VAL 183 Ca 0.16 0.10 0.09 0.00 -2.93 0.00 0.00 61.98 59.39 1hfa s VAL 183 Cb -0.07 -3.75 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 1hfa s VAL 183 CO 0.93 -0.40 0.03 0.20 -3.33 0.00 0.00 175.10 172.53 1hfa s ASN 184 N -3.30 4.77 0.25 3.54 -0.87 -1.26 -5.00 114.94 113.08 1hfa s ASN 184 Ca 0.45 -0.51 -0.04 0.00 -1.57 0.00 0.00 52.86 51.19 1hfa s ASN 184 Cb -0.10 -0.99 0.45 0.00 -0.02 0.00 0.00 41.25 40.59 1hfa s ASN 184 CO 0.32 0.02 1.77 0.77 -2.57 0.00 0.00 177.10 177.40 1hfa h SER 185 N 2.03 0.48 0.33 -1.22 4.64 -1.98 -1.57 113.55 116.26 1hfa h SER 185 Ca -0.46 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 1hfa h SER 185 Cb 1.24 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1hfa h SER 185 CO 0.60 0.23 0.00 -0.46 -0.87 0.00 0.00 176.83 176.33 1hfa n ASN 186 N -4.88 0.00 -0.13 4.97 0.23 -1.26 -1.96 115.26 112.23 1hfa n ASN 186 Ca 0.14 -0.11 0.12 0.00 -0.53 0.00 0.00 54.58 54.20 1hfa n ASN 186 Cb 0.37 -0.24 0.32 0.00 -2.08 0.00 0.00 39.78 38.14 1hfa n ASN 186 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1hfa n GLU 187 N -1.24 0.46 -2.57 -3.83 1.02 -0.59 -4.73 120.64 109.16 1hfa n GLU 187 Ca 0.11 -0.27 -0.43 0.00 -0.02 0.00 0.00 57.16 56.55 1hfa n GLU 187 Cb 0.15 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1hfa n GLU 187 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1hfa n LEU 188 N -1.03 5.42 -0.16 -4.62 4.77 -0.83 -4.69 117.00 115.86 1hfa n LEU 188 Ca 0.09 -4.18 0.02 0.00 -0.03 0.00 0.00 56.01 51.91 1hfa n LEU 188 Cb 0.34 -1.67 0.03 0.00 -2.33 0.00 0.00 43.42 39.79 1hfa n LEU 188 CO 0.30 0.56 0.46 0.35 -1.33 0.00 0.00 177.39 177.73 1hfa n THR 189 N 5.40 0.68 -4.11 -5.08 -2.24 -1.26 -4.93 114.28 102.73 1hfa n THR 189 Ca 0.45 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1hfa n THR 189 Cb 0.43 0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 69.26 1hfa n THR 189 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1hfa s ASN 190 N -0.76 0.09 0.22 3.42 2.20 -1.26 -5.05 114.94 113.80 1hfa s ASN 190 Ca 0.05 -1.19 0.23 0.00 -0.94 0.00 0.00 52.86 51.02 1hfa s ASN 190 Cb 0.03 0.43 0.93 0.00 -2.00 0.00 0.00 41.25 40.64 1hfa s ASN 190 CO 0.04 -0.91 1.70 0.61 -2.94 0.00 0.00 177.10 175.60 1hfa n GLY 191 N -0.27 -1.31 0.07 0.45 0.00 -1.26 -1.95 105.19 100.91 1hfa n GLY 191 Ca -0.01 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1hfa n GLY 191 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1hfa h VAL 192 N 0.00 0.93 -0.37 1.61 2.07 -1.84 -2.72 116.25 115.93 1hfa h VAL 192 Ca 0.00 -1.77 -0.05 0.00 0.82 0.00 0.00 66.70 65.71 1hfa h VAL 192 Cb 0.41 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1hfa h VAL 192 CO 0.00 0.31 0.03 -0.29 0.02 0.00 0.00 177.57 177.65 1hfa h ILE 193 N -1.00 1.19 -0.43 4.57 2.10 -1.95 -2.43 117.51 119.56 1hfa h ILE 193 Ca -0.05 -0.75 -0.06 0.00 1.08 0.00 0.00 64.86 65.09 1hfa h ILE 193 Cb 0.68 0.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.27 1hfa h ILE 193 CO -0.03 0.26 0.03 0.78 -1.08 0.00 0.00 178.15 178.11 1hfa h ASN 194 N 0.54 0.64 -0.39 2.19 4.21 -1.49 -1.20 115.58 120.08 1hfa h ASN 194 Ca 0.12 -0.13 -0.09 0.00 1.21 0.00 0.00 56.30 57.41 1hfa h ASN 194 Cb 0.30 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.31 1hfa h ASN 194 CO 0.01 0.69 -0.09 0.00 -1.29 0.00 0.00 177.43 176.75 1hfa h ALA 195 N 1.39 0.96 -0.29 -0.83 0.00 -1.11 -1.43 119.26 117.96 1hfa h ALA 195 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1hfa h ALA 195 Cb 0.36 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1hfa h ALA 195 CO 0.01 0.61 0.14 0.00 0.00 0.00 0.00 179.25 180.01 1hfa h ALA 196 N 1.14 0.34 -0.50 0.00 0.00 -1.15 -2.97 119.26 116.12 1hfa h ALA 196 Ca 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1hfa h ALA 196 Cb 0.58 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1hfa h ALA 196 CO 0.04 -0.26 0.31 0.35 0.00 0.00 0.00 179.25 179.69 1hfa h PHE 197 N 0.29 0.65 -0.88 0.00 3.57 -0.80 -1.48 116.94 118.29 1hfa h PHE 197 Ca 0.12 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1hfa h PHE 197 Cb 0.05 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 1hfa h PHE 197 CO -0.10 0.45 0.57 0.52 -2.23 0.00 0.00 178.31 177.52 1hfa h MET 198 N 0.67 1.16 -0.32 1.11 2.86 -1.22 0.98 114.93 120.17 1hfa h MET 198 Ca 0.18 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.57 1hfa h MET 198 Cb -0.02 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 1hfa h MET 198 CO -0.03 0.78 -0.46 -0.07 1.06 0.00 0.00 176.91 178.18 1hfa h LEU 199 N 1.19 0.94 -0.86 1.22 3.38 -1.30 -2.57 115.31 117.31 1hfa h LEU 199 Ca 0.32 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1hfa h LEU 199 Cb -0.12 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.31 1hfa h LEU 199 CO -0.07 1.25 0.55 -0.07 0.09 0.00 0.00 178.44 180.20 1hfa h LEU 200 N 0.68 0.92 -0.36 1.67 3.38 -0.60 -1.68 115.31 119.32 1hfa h LEU 200 Ca 0.04 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1hfa h LEU 200 Cb 1.06 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1hfa h LEU 200 CO 0.11 0.63 0.17 0.15 0.09 0.00 0.00 178.44 179.58 1hfa h PHE 201 N 1.07 0.32 -0.46 1.13 3.57 -0.65 0.11 116.94 122.03 1hfa h PHE 201 Ca 0.35 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 1hfa h PHE 201 Cb 0.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 1hfa h PHE 201 CO -0.02 0.17 0.22 0.87 -2.23 0.00 0.00 178.31 177.32 1hfa h LYS 202 N 0.36 0.67 -0.68 1.11 1.79 -1.28 -2.17 116.57 116.37 1hfa h LYS 202 Ca 0.15 -0.10 -0.03 0.00 -2.18 0.00 0.00 60.65 58.49 1hfa h LYS 202 Cb 0.07 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 1hfa h LYS 202 CO -0.11 0.57 0.29 -0.44 -1.08 0.00 0.00 179.45 178.68 1hfa h ASP 203 N 0.61 0.92 -0.38 0.86 5.19 -0.98 -3.11 116.42 119.52 1hfa h ASP 203 Ca 0.16 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 56.44 1hfa h ASP 203 Cb 0.12 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.36 1hfa h ASP 203 CO -0.02 0.83 0.19 0.00 -3.12 0.00 0.00 179.24 177.11 1hfa h ALA 204 N 1.13 0.47 -0.63 3.45 0.00 -0.63 0.88 119.26 123.93 1hfa h ALA 204 Ca 0.23 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 1hfa h ALA 204 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1hfa h ALA 204 CO -0.02 -0.18 0.07 -0.84 0.00 0.00 0.00 179.25 178.28 1hfa h ILE 205 N 0.38 1.26 -0.17 0.00 3.07 -1.43 -0.38 117.51 120.25 1hfa h ILE 205 Ca 0.16 -1.06 -0.16 0.00 1.55 0.00 0.00 64.86 65.35 1hfa h ILE 205 Cb 0.08 0.69 -0.01 0.00 -0.27 0.00 0.00 36.82 37.32 1hfa h ILE 205 CO -0.12 0.39 -0.58 0.03 -1.05 0.00 0.00 178.15 176.82 1hfa h ARG 206 N 0.99 0.53 -0.42 0.16 3.08 -1.45 -2.19 114.38 115.07 1hfa h ARG 206 Ca 0.19 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.78 1hfa h ARG 206 Cb 0.47 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1hfa h ARG 206 CO 0.02 0.96 -0.15 1.25 -1.07 0.00 0.00 179.97 180.97 1hfa h LEU 207 N 0.40 0.87 -0.75 3.04 5.85 -0.68 -2.57 115.31 121.48 1hfa h LEU 207 Ca 0.00 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.37 1hfa h LEU 207 Cb 1.13 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 1hfa h LEU 207 CO 0.11 1.06 0.47 0.15 -0.34 0.00 0.00 178.44 179.89 1hfa h PHE 208 N 0.67 0.88 -0.42 1.25 3.57 -1.06 -0.77 116.94 121.07 1hfa h PHE 208 Ca 0.10 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 1hfa h PHE 208 Cb 0.70 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1hfa h PHE 208 CO 0.05 0.50 0.22 0.00 -2.23 0.00 0.00 178.31 176.86 1hfa h ALA 209 N 1.32 0.53 -0.17 2.41 0.00 -1.25 0.12 119.26 122.21 1hfa h ALA 209 Ca 0.30 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.11 1hfa h ALA 209 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1hfa h ALA 209 CO -0.11 -0.13 -0.39 0.00 0.00 0.00 0.00 179.25 178.62 1hfa h ALA 210 N 1.22 1.01 -0.71 0.00 0.00 -1.26 -0.66 119.26 118.86 1hfa h ALA 210 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1hfa h ALA 210 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1hfa h ALA 210 CO -0.12 0.61 0.20 -0.92 0.00 0.00 0.00 179.25 179.02 1hfa h TYR 211 N 0.32 1.16 -0.21 0.00 5.03 -0.18 -2.44 116.97 120.66 1hfa h TYR 211 Ca 0.03 -0.13 -0.05 0.00 2.58 0.00 0.00 58.73 61.17 1hfa h TYR 211 Cb 0.83 -0.33 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 1hfa h TYR 211 CO 0.02 0.93 -0.05 -0.97 -1.32 0.00 0.00 178.16 176.77 1hfa h ASN 212 N 1.05 0.41 -0.41 -2.11 -1.24 -0.38 -1.48 115.58 111.43 1hfa h ASN 212 Ca 0.23 -0.37 0.03 0.00 0.71 0.00 0.00 56.30 56.90 1hfa h ASN 212 Cb 0.33 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1hfa h ASN 212 CO -0.00 0.68 0.27 -0.33 -1.29 0.00 0.00 177.43 176.76 1hfa h GLU 213 N 0.13 0.44 -0.12 6.67 5.08 -1.06 -1.11 114.58 124.61 1hfa h GLU 213 Ca 0.05 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1hfa h GLU 213 Cb 0.50 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.66 1hfa h GLU 213 CO 0.02 0.29 -0.81 0.78 -1.00 0.00 0.00 179.01 178.29 1hfa h GLY 214 N 0.46 0.77 1.33 -3.84 0.00 -0.83 -2.30 103.07 98.66 1hfa h GLY 214 Ca 0.16 -1.13 -0.06 0.00 0.00 0.00 0.00 47.33 46.30 1hfa h GLY 214 CO -0.04 1.01 0.10 -2.22 0.00 0.00 0.00 176.54 175.39 1hfa h ILE 215 N 0.47 1.23 -0.72 2.60 1.08 -0.59 -0.25 117.51 121.33 1hfa h ILE 215 Ca -0.06 -0.86 -0.01 0.00 -0.39 0.00 0.00 64.86 63.54 1hfa h ILE 215 Cb 1.43 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.86 1hfa h ILE 215 CO 0.16 0.32 0.42 0.40 -0.69 0.00 0.00 178.15 178.76 1hfa h ILE 216 N 0.79 1.21 -0.55 -0.67 2.04 -0.96 -0.20 117.51 119.17 1hfa h ILE 216 Ca 0.17 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1hfa h ILE 216 Cb 0.33 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1hfa h ILE 216 CO 0.00 0.22 0.27 -1.13 0.00 0.00 0.00 178.15 177.52 1hfa h ASN 217 N 0.98 0.72 0.07 1.72 -1.24 -0.91 -1.78 115.58 115.15 1hfa h ASN 217 Ca 0.26 -0.13 -0.00 0.00 0.71 0.00 0.00 56.30 57.14 1hfa h ASN 217 Cb -0.01 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.85 1hfa h ASN 217 CO -0.05 0.65 -0.05 0.25 -1.29 0.00 0.00 177.43 176.94 1hfa h LEU 218 N 0.75 -0.14 -0.85 0.34 5.85 0.61 -1.68 115.31 120.19 1hfa h LEU 218 Ca 0.19 0.01 0.24 0.00 0.84 0.00 0.00 57.88 59.16 1hfa h LEU 218 Cb 0.11 0.04 -0.16 0.00 0.37 0.00 0.00 40.66 41.03 1hfa h LEU 218 CO -0.02 -0.08 0.04 0.18 -0.34 0.00 0.00 178.44 178.22 1hfa n LEU 219 N -2.54 -0.08 -0.14 2.25 4.77 -0.35 0.12 117.00 121.03 1hfa n LEU 219 Ca -0.01 1.44 -0.04 0.00 -0.03 0.00 0.00 56.01 57.37 1hfa n LEU 219 Cb 0.05 -0.53 0.03 0.00 -2.33 0.00 0.00 43.42 40.64 1hfa n LEU 219 CO 0.03 -1.47 0.79 -0.08 -1.33 0.00 0.00 177.39 175.34 1hfa h GLU 220 N 0.00 0.03 -0.02 3.23 4.81 -0.66 -3.10 114.58 118.87 1hfa h GLU 220 Ca 0.53 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1hfa h GLU 220 Cb 1.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1hfa h GLU 220 CO -0.79 0.02 -0.16 1.63 -0.73 0.00 0.00 179.01 178.97 1hfa n LYS 221 N -5.30 1.73 0.00 1.92 5.02 0.32 -4.60 118.16 117.24 1hfa n LYS 221 Ca 0.04 -1.33 0.10 0.00 -2.02 0.00 0.00 58.31 55.09 1hfa n LYS 221 Cb 0.24 -1.47 0.50 0.00 -0.02 0.00 0.00 35.03 34.28 1hfa n LYS 221 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1hfa n TYR 222 N 0.52 0.00 -0.11 2.13 4.19 0.79 -3.04 117.16 121.64 1hfa n TYR 222 Ca 0.13 0.00 -0.14 0.00 3.31 0.00 0.00 57.90 61.20 1hfa n TYR 222 Cb 0.49 -0.29 -0.12 0.00 0.49 0.00 0.00 39.34 39.90 1hfa n TYR 222 CO 0.00 0.00 0.00 1.19 0.91 0.00 0.00 176.86 178.96 1hfa n PHE 223 N -1.29 0.00 1.55 2.98 3.72 -1.26 -4.48 117.46 118.67 1hfa n PHE 223 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1hfa n PHE 223 Cb 0.16 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 1hfa n PHE 223 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1hfa n ASP 224 N -3.02 0.25 -4.51 4.37 -0.08 -1.17 -4.92 116.55 107.48 1hfa n ASP 224 Ca -0.38 -1.80 -0.24 0.00 -1.51 0.00 0.00 54.79 50.85 1hfa n ASP 224 Cb 1.01 -0.13 -0.10 0.00 2.34 0.00 0.00 41.12 44.24 1hfa n ASP 224 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1hfa s MET 225 N -1.72 1.77 1.08 -0.67 0.23 -1.23 -5.11 119.30 113.65 1hfa s MET 225 Ca 0.00 -1.79 -0.16 0.00 -1.03 0.00 0.00 55.69 52.72 1hfa s MET 225 Cb 0.00 -1.79 0.13 0.00 -1.53 0.00 0.00 34.83 31.64 1hfa s MET 225 CO 0.00 0.28 0.37 1.63 -2.03 0.00 0.00 175.02 175.26 1hfa n LYS 226 N -0.70 -1.39 -0.06 3.16 5.02 -1.26 -4.72 118.16 118.21 1hfa n LYS 226 Ca -0.05 -0.38 -0.14 0.00 -2.02 0.00 0.00 58.31 55.72 1hfa n LYS 226 Cb 0.61 -1.87 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 1hfa n LYS 226 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1hfa h LYS 227 N -2.06 0.53 -0.10 1.97 3.64 -1.99 -1.96 116.57 116.60 1hfa h LYS 227 Ca -0.52 -0.32 -0.19 0.00 -1.27 0.00 0.00 60.65 58.34 1hfa h LYS 227 Cb 1.33 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1hfa h LYS 227 CO 0.40 0.93 -0.73 -0.91 -2.27 0.00 0.00 179.45 176.86 1hfa h ASN 228 N 0.19 0.58 0.00 4.20 2.35 -2.00 -3.15 115.58 117.75 1hfa h ASN 228 Ca 0.02 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1hfa h ASN 228 Cb 0.88 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 1hfa h ASN 228 CO 0.07 1.13 -0.10 1.56 -1.65 0.00 0.00 177.43 178.44 1hfa h GLN 229 N 0.34 -0.12 0.00 0.81 4.20 -1.93 0.15 115.11 118.56 1hfa h GLN 229 Ca -0.03 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1hfa h GLN 229 Cb 1.31 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1hfa h GLN 229 CO 0.13 -0.08 0.05 0.00 -0.67 0.00 0.00 178.83 178.26 1hfa n LYS 231 N -0.71 1.93 0.11 0.00 4.81 0.01 -3.07 118.16 121.23 1hfa n LYS 231 Ca 0.00 -0.02 -0.11 0.00 -0.87 0.00 0.00 58.31 57.32 1hfa n LYS 231 Cb 0.05 -1.30 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 1hfa n LYS 231 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1hfa h GLU 232 N 0.00 -0.33 0.00 1.64 5.08 0.13 -3.09 114.58 118.01 1hfa h GLU 232 Ca -0.29 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1hfa h GLU 232 Cb 1.63 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1hfa h GLU 232 CO 0.02 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1hfa n GLY 233 N 0.38 -2.36 0.52 -3.84 0.00 0.04 0.33 105.19 100.26 1hfa n GLY 233 Ca -0.08 0.48 0.42 0.00 0.00 0.00 0.00 46.02 46.84 1hfa n GLY 233 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1hfa h LEU 234 N 0.00 0.17 -0.61 0.99 5.85 -1.62 0.35 115.31 120.44 1hfa h LEU 234 Ca 0.00 0.12 -0.15 0.00 0.84 0.00 0.00 57.88 58.69 1hfa h LEU 234 Cb 0.00 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1hfa h LEU 234 CO 0.00 -0.18 -0.69 -0.78 -0.34 0.00 0.00 178.44 176.45 1hfa h ASP 235 N 0.03 0.06 0.01 1.25 3.58 -0.04 -0.96 116.42 120.34 1hfa h ASP 235 Ca 0.87 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 58.28 1hfa h ASP 235 Cb 2.93 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 43.97 1hfa h ASP 235 CO -0.35 0.73 -0.00 0.40 -2.88 0.00 0.00 179.24 177.13 1hfa h ILE 236 N 0.03 1.38 -0.31 2.25 2.04 0.17 -1.79 117.51 121.27 1hfa h ILE 236 Ca -0.01 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 64.69 1hfa h ILE 236 Cb 1.22 2.16 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1hfa h ILE 236 CO 0.09 0.30 0.15 0.22 0.00 0.00 0.00 178.15 178.91 1hfa h TYR 237 N -0.50 0.41 0.45 1.37 5.03 -1.50 0.41 116.97 122.64 1hfa h TYR 237 Ca -0.00 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1hfa h TYR 237 Cb 0.49 -0.14 0.00 0.00 1.55 0.00 0.00 36.73 38.64 1hfa h TYR 237 CO 0.10 0.31 -0.22 0.87 -1.32 0.00 0.00 178.16 177.90 1hfa h LYS 238 N 0.43 -0.59 0.00 1.82 1.57 -1.07 -1.85 116.57 116.88 1hfa h LYS 238 Ca 0.11 0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1hfa h LYS 238 Cb 0.04 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1hfa h LYS 238 CO -0.02 -0.35 -0.40 0.87 -0.57 0.00 0.00 179.45 178.98 1hfa h LYS 239 N -0.68 0.00 -0.38 3.15 1.57 0.23 -2.51 116.57 117.97 1hfa h LYS 239 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1hfa h LYS 239 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1hfa h LYS 239 CO 0.10 0.40 0.25 0.35 -0.57 0.00 0.00 179.45 179.98 1hfa h PHE 240 N 0.00 0.47 -0.65 -1.35 3.04 -0.11 -1.75 116.94 116.59 1hfa h PHE 240 Ca -0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1hfa h PHE 240 Cb 1.14 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.45 1hfa h PHE 240 CO 0.00 0.30 0.43 -0.07 -2.02 0.00 0.00 178.31 176.95 1hfa h LEU 241 N 0.51 0.68 -0.43 0.59 3.38 -0.87 -0.09 115.31 119.09 1hfa h LEU 241 Ca 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 1hfa h LEU 241 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1hfa h LEU 241 CO -0.03 0.47 -0.46 0.71 0.09 0.00 0.00 178.44 179.22 1hfa h THR 242 N 0.79 0.89 -0.16 0.22 1.35 -1.46 -3.22 112.91 111.33 1hfa h THR 242 Ca 0.26 -1.95 -0.15 0.00 -0.55 0.00 0.00 66.41 64.02 1hfa h THR 242 Cb 0.05 2.22 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 1hfa h THR 242 CO -0.07 0.45 -0.53 0.03 -0.25 0.00 0.00 175.52 175.15 1hfa h ARG 243 N 0.00 0.47 -1.01 4.72 3.08 -0.25 -2.84 114.38 118.54 1hfa h ARG 243 Ca -0.00 -0.29 0.25 0.00 0.07 0.00 0.00 59.98 60.01 1hfa h ARG 243 Cb 1.18 0.03 -0.12 0.00 0.08 0.00 0.00 29.97 31.14 1hfa h ARG 243 CO 0.06 0.88 0.61 1.98 -1.07 0.00 0.00 179.97 182.44 1hfa h MET 244 N 0.36 0.53 -0.14 0.04 4.05 -1.09 -0.96 114.93 117.71 1hfa h MET 244 Ca 0.01 -0.03 -0.21 0.00 -0.28 0.00 0.00 59.70 59.18 1hfa h MET 244 Cb 1.05 -0.12 0.01 0.00 -0.80 0.00 0.00 31.60 31.74 1hfa h MET 244 CO 0.10 0.35 -0.76 1.15 0.23 0.00 0.00 176.91 177.97 1hfa h THR 245 N 0.55 1.30 -0.26 -0.77 2.02 -1.53 -2.55 112.91 111.66 1hfa h THR 245 Ca 0.63 -2.00 -0.13 0.00 0.77 0.00 0.00 66.41 65.68 1hfa h THR 245 Cb 1.28 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1hfa h THR 245 CO -0.43 0.63 -0.36 -0.09 0.37 0.00 0.00 175.52 175.63 1hfa h ARG 246 N 0.49 0.59 -0.54 6.66 2.43 -1.30 -2.62 114.38 120.09 1hfa h ARG 246 Ca -0.05 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1hfa h ARG 246 Cb 1.38 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1hfa h ARG 246 CO 0.15 0.87 0.30 0.82 -1.51 0.00 0.00 179.97 180.60 1hfa h ILE 247 N 0.50 1.18 -0.62 1.20 2.04 -1.11 -1.64 117.51 119.05 1hfa h ILE 247 Ca 0.05 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1hfa h ILE 247 Cb 0.86 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1hfa h ILE 247 CO 0.07 0.19 0.29 -1.28 0.00 0.00 0.00 178.15 177.43 1hfa h SER 248 N 0.73 0.78 -0.55 1.72 0.87 -1.27 0.08 113.55 115.91 1hfa h SER 248 Ca 0.19 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.56 1hfa h SER 248 Cb 0.03 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1hfa h SER 248 CO -0.03 0.67 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.53 1hfa h GLU 249 N 0.87 1.04 -0.48 2.24 4.39 -0.96 -2.73 114.58 118.94 1hfa h GLU 249 Ca 0.22 -0.37 0.05 0.00 0.34 0.00 0.00 59.36 59.60 1hfa h GLU 249 Cb 0.09 -0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1hfa h GLU 249 CO -0.03 1.06 0.20 0.35 -1.16 0.00 0.00 179.01 179.43 1hfa h PHE 250 N 0.93 0.37 0.00 4.33 3.57 -0.68 -2.71 116.94 122.74 1hfa h PHE 250 Ca 0.15 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1hfa h PHE 250 Cb 0.64 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1hfa h PHE 250 CO 0.04 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.56 1hfa n LEU 251 N -4.95 0.63 0.04 0.59 4.77 -0.04 -2.06 117.00 115.98 1hfa n LEU 251 Ca 0.04 0.62 -0.09 0.00 -0.03 0.00 0.00 56.01 56.55 1hfa n LEU 251 Cb 0.16 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 1hfa n LEU 251 CO 0.27 -0.39 -0.09 0.50 -1.33 0.00 0.00 177.39 176.36 1hfa h LYS 252 N 0.00 0.04 -0.89 3.23 3.64 -1.25 -0.30 116.57 121.05 1hfa h LYS 252 Ca 0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1hfa h LYS 252 Cb 0.48 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1hfa h LYS 252 CO 0.00 0.90 0.50 0.28 -2.27 0.00 0.00 179.45 178.86 1hfa h VAL 253 N 0.01 1.25 -0.66 2.00 2.07 -1.11 -1.41 116.25 118.41 1hfa h VAL 253 Ca -0.11 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.73 1hfa h VAL 253 Cb 1.87 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1hfa h VAL 253 CO 0.13 0.28 0.12 0.00 0.02 0.00 0.00 177.57 178.12 1hfa h ALA 254 N 1.27 0.97 -0.53 1.67 0.00 -1.24 -1.61 119.26 119.79 1hfa h ALA 254 Ca 0.31 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1hfa h ALA 254 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1hfa h ALA 254 CO -0.05 0.65 0.06 1.49 0.00 0.00 0.00 179.25 181.40 1hfa h GLU 255 N 1.01 0.89 -0.95 0.00 4.81 -0.81 -2.69 114.58 116.84 1hfa h GLU 255 Ca 0.20 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1hfa h GLU 255 Cb 0.41 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1hfa h GLU 255 CO 0.01 0.88 0.61 1.96 -0.73 0.00 0.00 179.01 181.74 1hfa h GLN 256 N 0.77 1.27 0.00 1.92 4.20 -0.99 -2.40 115.11 119.88 1hfa h GLN 256 Ca 0.16 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.72 1hfa h GLN 256 Cb 0.44 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1hfa h GLN 256 CO 0.02 0.86 -0.27 0.28 -0.67 0.00 0.00 178.83 179.04 1hfa h VAL 257 N 1.30 0.65 0.00 -0.54 2.07 -1.14 -3.47 116.25 115.12 1hfa h VAL 257 Ca 0.35 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1hfa h VAL 257 Cb -0.11 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1hfa h VAL 257 CO -0.07 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1hfa n GLY 258 N 0.20 1.31 3.59 2.17 0.00 -0.90 -5.09 105.19 106.47 1hfa n GLY 258 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1hfa n GLY 258 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1hfa n ILE 259 N -0.16 2.15 -1.68 -0.61 5.41 -1.04 -4.84 119.36 118.59 1hfa n ILE 259 Ca 0.00 -0.50 -0.45 0.00 1.00 0.00 0.00 62.75 62.80 1hfa n ILE 259 Cb 0.00 -1.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.83 1hfa n ILE 259 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1hfa n ASP 260 N 0.91 3.74 0.30 4.38 -0.08 -1.26 -4.83 116.55 119.71 1hfa n ASP 260 Ca 0.09 0.98 0.19 0.00 -1.51 0.00 0.00 54.79 54.54 1hfa n ASP 260 Cb 0.36 -1.47 0.92 0.00 2.34 0.00 0.00 41.12 43.27 1hfa n ASP 260 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1hfa h ARG 261 N 8.82 0.00 0.00 -0.67 -0.00 -1.95 -0.72 114.38 119.86 1hfa h ARG 261 Ca -0.48 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 58.99 1hfa h ARG 261 Cb 1.25 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.22 1hfa h ARG 261 CO 0.94 0.03 -0.05 0.78 0.00 0.00 0.00 179.97 181.66 1hfa h GLY 262 N 0.93 0.00 0.97 0.04 0.00 -2.02 -3.08 103.07 99.91 1hfa h GLY 262 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1hfa h GLY 262 CO 0.00 0.00 -0.41 1.22 0.00 0.00 0.00 176.54 177.36 1hfa n ASP 263 N -3.85 0.53 -4.73 0.19 8.00 -0.28 -4.84 116.55 111.58 1hfa n ASP 263 Ca -0.03 -0.30 -0.38 0.00 0.71 0.00 0.00 54.79 54.80 1hfa n ASP 263 Cb 0.14 0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 1hfa n ASP 263 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1hfa s ILE 264 N -2.90 5.16 0.48 0.53 1.01 -1.17 -5.04 121.20 119.26 1hfa s ILE 264 Ca 0.14 0.98 -0.08 0.00 0.00 0.00 0.00 60.65 61.69 1hfa s ILE 264 Cb 0.18 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1hfa s ILE 264 CO 0.65 0.34 0.82 -2.16 0.00 0.00 0.00 174.94 174.59 1hfa s PRO 265 N 0.49 3.63 -0.22 2.79 0.04 -1.26 -5.00 135.00 135.47 1hfa s PRO 265 Ca 0.26 0.37 -0.21 0.00 0.04 0.00 0.00 61.00 61.47 1hfa s PRO 265 Cb -0.15 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1hfa s PRO 265 CO 0.11 -0.20 0.63 0.34 0.04 0.00 0.00 177.00 177.92 1hfa s ASP 266 N -3.79 6.64 -0.64 6.66 2.15 -1.26 -5.00 116.67 121.44 1hfa s ASP 266 Ca 0.50 0.79 -0.14 0.00 0.43 0.00 0.00 52.55 54.13 1hfa s ASP 266 Cb -0.10 -2.34 0.16 0.00 -0.30 0.00 0.00 42.92 40.33 1hfa s ASP 266 CO 0.41 -0.31 0.57 -0.76 -0.17 0.00 0.00 175.17 174.92 1hfa s LEU 267 N 2.12 6.26 -0.48 -1.34 1.43 -1.26 -4.86 118.68 120.55 1hfa s LEU 267 Ca 0.28 -2.19 0.06 0.00 -1.03 0.00 0.00 54.13 51.25 1hfa s LEU 267 Cb -0.16 -2.16 0.20 0.00 0.03 0.00 0.00 46.19 44.10 1hfa s LEU 267 CO 0.10 -0.71 0.67 -1.54 0.23 0.00 0.00 176.35 175.10 1hfa n SER 268 N 4.65 -2.48 -3.15 2.29 3.41 -1.26 -5.10 113.62 111.98 1hfa n SER 268 Ca -0.02 -2.87 0.05 0.00 -0.26 0.00 0.00 58.87 55.77 1hfa n SER 268 Cb 0.42 1.12 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 1hfa n SER 268 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1hfa s GLN 269 N 0.51 0.18 0.00 4.33 2.00 -1.26 -5.08 119.66 120.34 1hfa s GLN 269 Ca 0.31 0.25 0.00 0.00 -2.00 0.00 0.00 55.36 53.93 1hfa s GLN 269 Cb 0.07 0.13 0.00 0.00 0.80 0.00 0.00 33.01 34.01 1hfa s GLN 269 CO -0.12 -0.25 0.00 0.00 -0.50 0.00 0.00 175.29 174.41 1hfa n ALA 270 N 5.33 0.00 -1.09 1.58 0.00 -1.26 -5.01 120.51 120.06 1hfa n ALA 270 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1hfa n ALA 270 Cb 0.55 -0.11 0.27 0.00 0.00 0.00 0.00 19.45 20.16 1hfa n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1hfa n PRO 271 N -2.69 3.02 -0.09 0.00 -0.04 -1.26 -4.63 135.00 129.31 1hfa n PRO 271 Ca 0.00 -2.99 -0.14 0.00 -0.04 0.00 0.00 63.50 60.33 1hfa n PRO 271 Cb 0.00 -1.95 -0.14 0.00 -0.04 0.00 0.00 33.50 31.37 1hfa n PRO 271 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1hfa n SER 272 N -0.49 1.08 -0.77 3.54 3.41 -1.26 -4.68 113.62 114.46 1hfa n SER 272 Ca 0.29 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1hfa n SER 272 Cb 1.06 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 1hfa n SER 272 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1hfa n SER 273 N -3.06 0.49 0.00 4.04 7.64 -1.26 -4.53 113.62 116.94 1hfa n SER 273 Ca -0.36 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1hfa n SER 273 Cb 1.07 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.15 1hfa n SER 273 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1hfa n LEU 274 N 0.65 0.00 -3.35 -3.43 7.94 -1.26 -3.43 117.00 114.11 1hfa n LEU 274 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 1hfa n LEU 274 Cb 0.09 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.06 1hfa n LEU 274 CO 0.00 0.00 1.32 0.18 -1.11 0.00 0.00 177.39 177.78 1hfa n LEU 275 N -0.53 7.09 0.00 -1.96 4.77 -1.26 -3.11 117.00 122.00 1hfa n LEU 275 Ca 0.00 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 1hfa n LEU 275 Cb 0.00 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1hfa n LEU 275 CO 0.00 2.00 0.15 -0.90 -1.33 0.00 0.00 177.39 177.32 1hfa n ASP 276 N -0.22 0.59 0.00 -1.43 5.68 -1.22 -4.62 116.55 115.33 1hfa n ASP 276 Ca 0.47 -1.02 0.05 0.00 -0.50 0.00 0.00 54.79 53.80 1hfa n ASP 276 Cb 0.28 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.58 1hfa n ASP 276 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1hfa n ALA 277 N -0.01 2.02 -0.13 2.12 0.00 -1.18 -1.00 120.51 122.32 1hfa n ALA 277 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1hfa n ALA 277 Cb 0.12 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1hfa n ALA 277 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1hfa n LEU 278 N -0.88 0.65 0.00 0.00 4.77 -1.26 -4.49 117.00 115.79 1hfa n LEU 278 Ca 0.08 -0.74 0.06 0.00 -0.03 0.00 0.00 56.01 55.38 1hfa n LEU 278 Cb 0.04 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.47 1hfa n LEU 278 CO 0.06 0.16 0.56 1.21 -1.33 0.00 0.00 177.39 178.06 1hfa n GLU 279 N -0.18 0.51 -1.90 3.23 2.13 -0.18 -2.17 120.64 122.08 1hfa n GLU 279 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 1hfa n GLU 279 Cb 0.03 -1.36 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 1hfa n GLU 279 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1hfa n GLN 280 N -0.86 4.46 0.00 5.31 10.64 -1.26 -5.15 117.38 130.53 1hfa n GLN 280 Ca 0.09 -3.29 0.11 0.00 -1.83 0.00 0.00 57.00 52.08 1hfa n GLN 280 Cb 0.04 -2.66 0.66 0.00 -0.86 0.00 0.00 30.24 27.42 1hfa n GLN 280 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81